Alternatives to Thermo-Calc

Induction heat treatment simulation offers detailed insights into the temperature variations from the outer surface to the core and identifies specific regions where phase changes take place. With SIMHEAT®, users can assess how factors like current frequency, coil design, and the positioning of concentrators influence the heat-affected zone. The material modeling aspect accounts for the electrical and magnetic characteristics that vary with temperature. Moreover, SIMHEAT® can operate independently or work in conjunction with Transvalor software, ensuring a flawless transfer of results between the two platforms. This high level of interoperability guarantees that users can rely on consistent and accurate outcomes. Furthermore, all the features and functionalities available in SIMHEAT® are also incorporated into our FORGE® software, which is tailored for simulating hot, semi-hot, and cold forming processes, thereby expanding its utility in various manufacturing applications.

ScienceDesk's data automation simplifies the integration of artificial intelligence within the field of materials science. This tool serves as a practical solution for teams to consistently implement and utilize the latest AI algorithms in their daily workflows. It features customizable attributes, universal identifiers, QR codes, and a robust search engine that connects sample data with experimental results. As a groundbreaking platform, ScienceDesk facilitates collaboration among scientists and engineers, allowing them to engage with and glean insights from their experimental findings. However, the full potential of this resource remains untapped due to the diverse data formats and a reliance on specialists to manually retrieve targeted information. The ScienceDesk research data management system addresses this challenge by merging documentation with data analysis within a thoughtfully designed data structure. Our algorithms empower researchers and scientists, granting them comprehensive command over their data. They can not only exchange datasets but also share their analytical expertise, fostering a more collaborative research environment. Overall, ScienceDesk enhances data accessibility and encourages innovative approaches in scientific investigation.

FactSage is an extensive software and database suite for thermochemical analysis, created in collaboration by Thermfact/CRCT based in Montreal, Canada, and GTT-Technologies located in Aachen, Germany. Launched in 2001, it combines the capabilities of the FACT-Win/FAC*T and ChemSage/SOLGASMIX thermochemical tools, which stem from over two decades of joint research. This software features a collection of modules for information retrieval, database access, calculations, and data manipulation that cater to a wide range of pure substances and solution data. It serves a diverse array of users, including those in industry, government, and academia, across disciplines such as materials science, pyrometallurgy, hydrometallurgy, electrometallurgy, corrosion science, glass technology, combustion, ceramics, and geology. Users can tap into thermodynamic data for numerous compounds and have access to evaluated databases for hundreds of solutions, which encompass metals, oxides, slags, mattes, salts, and various aqueous solutions. Overall, FactSage stands as a vital tool for professionals seeking reliable thermochemical information and analysis.

Ansys Autodyn enables the simulation of material responses to various events, including short-duration severe mechanical loadings, high pressures, and explosions. This software combines advanced solution techniques with user-friendly features, making it accessible for quick comprehension and simulation of significant material deformation or failure. It offers a diverse range of models to accurately capture complex physical phenomena, such as the interactions between liquids, solids, and gases, as well as phase transitions in materials and shock wave propagation. With seamless integration into Ansys Workbench and its intuitive user interface, Ansys Autodyn stands out in the industry by facilitating the generation of precise results efficiently. The inclusion of the smooth particle hydrodynamics (SPH) solver enhances its capabilities for explicit analysis, ensuring comprehensive support for various simulation needs. Furthermore, Ansys Autodyn allows users to choose from multiple solver technologies, ensuring that the most suitable solver is applied for different components of the model, thus optimizing performance and accuracy.

Transforming materials data into superior products at an accelerated pace enhances research and development, streamlines scaling processes, and optimizes quality control and supply chain decisions. This approach enables the discovery of innovative materials while utilizing machine learning guidance to predict outcomes, leading to swifter and more effective results. As you progress towards production, you can construct a model that tests the boundaries of your products, facilitating the design of cost-effective and resilient production lines. Furthermore, these models can forecast potential failures by analyzing the supplied materials informatics alongside production line parameters. The Materials Zone platform compiles data from various independent sources, including materials suppliers and manufacturing facilities, ensuring secure communication between them. By leveraging machine learning algorithms on your experimental data, you can identify new materials with tailored properties, create ‘recipes’ for their synthesis, develop tools for automatic analysis of unique measurements, and gain valuable insights. This holistic approach not only enhances the efficiency of R&D but also fosters collaboration across the materials ecosystem, ultimately driving innovation forward.

BIOVIA Materials Studio serves as an all-encompassing platform for modeling and simulation, specifically tailored to assist researchers in the fields of materials science and chemistry in forecasting and comprehending how a material's atomic and molecular configurations correlate with its characteristics and functionalities. By adopting an "in silico first" strategy, researchers can enhance material performance in a budget-friendly virtual environment before moving to physical experimentation. This versatile software accommodates a diverse array of materials, such as catalysts, polymers, composites, metals, alloys, pharmaceuticals, and batteries. With capabilities that span quantum, atomistic, mesoscale, statistical, analytical, and crystallization simulations, it streamlines the development of innovative materials across multiple sectors. Additionally, its features promote rapid innovation, decrease research and development expenditures through virtual screening, and boost productivity by automating established practices within Pipeline Pilot, making it an indispensable tool for modern material research and development. This comprehensive functionality not only enhances research efficiency but also positions users at the forefront of material advancements.

BIOVIA ONE Lab serves as a robust laboratory informatics platform aimed at optimizing workflows, fostering collaboration, and expediting research efforts in diverse scientific fields. This solution offers a cohesive environment for the management of laboratory data and processes, allowing researchers to make informed decisions more swiftly. It is utilized by organizations in various sectors such as Life Sciences, Consumer Packaged Goods, and Energy & Materials, among others. ONE Lab is adaptable for use in Research, Development, and Quality Assurance/Quality Control, catering to the unique requirements of scientists within each discipline. It effectively oversees samples, experiments, data, inventory, and equipment, as well as workflows, by integrating seamlessly with a variety of laboratory instruments and software. By utilizing a singular data model across all functional areas, ONE Lab eliminates artificial barriers that typically exist between Electronic Lab Notebooks (ELN), Laboratory Information Management Systems (LIMS), Laboratory Execution Systems (LES), and inventory management. This cohesive integration promotes efficiency and enhances the overall productivity of laboratory operations. Ultimately, BIOVIA ONE Lab empowers scientists to focus on innovation and discovery without the hindrances of fragmented systems.

The Citrine Platform integrates state-of-the-art AI technologies with advanced data management systems, offering user-friendly interfaces and robust security measures that comply with industry standards, all while being securely hosted in the cloud. It effectively captures, organizes, and retains comprehensive information regarding the development of materials and chemicals, spanning from procurement to processing and characterization. By minimizing unnecessary experiments, users can swiftly access pertinent data sets. With its powerful AI features, the Citrine Platform accelerates the identification of high-performing materials. Its predictive models analyze materials' performance based on processing, composition, and synthesis details, guiding users on the next experiments to undertake in order to meet their objectives. Furthermore, the Citrine Platform ensures the integrity and confidentiality of your data, domain expertise, and models through stringent protective measures. The platform is backed by ISO27001 certification and comprehensive documentation, providing additional assurance of its commitment to security and best practices. This attention to detail and dedication to user needs makes the Citrine Platform a valuable tool for the materials science community.

e-Xstream engineering specializes in the development and commercialization of the Digimat software suite, which features advanced multi-scale material modeling technology that accelerates the creation of composite materials and structures. Serving as a fundamental component of the 10xICME Solution, Digimat enables in-depth analyses of materials at the microscopic level and facilitates the creation of micromechanical models that are essential for integrating micro- and macroscopic interactions. The material models provided by Digimat allow for the combination of processing simulations with structural finite element analysis (FEA), paving the way for more accurate predictions by considering how processing conditions affect the final product's performance. Utilizing Digimat as an efficient and predictive tool significantly aids users in the design and manufacturing of cutting-edge composite materials and components, leading to substantial savings in time and costs. Ultimately, this capability empowers engineers to push the boundaries of innovation in composite material applications.

ExoMatter is revolutionizing the traditionally tedious and expensive process of materials research and development by harnessing advanced AI technologies and data-mining capabilities. The platform offers a tailored selection of the most appropriate materials for your specific needs. By integrating data from various scientific repositories and your own datasets, ExoMatter enhances this information through AI, enabling you to evaluate a diverse array of multidimensional physical, chemical, and engineering factors, alongside sustainability concerns and projected costs. Our commitment to using scientific materials data aims to identify superior and more eco-friendly materials. With our innovative materials research platform, you can swiftly navigate through millions of materials, using AI-driven tools that not only enrich the data but also provide you with comprehensive control over your selection criteria. Leverage ExoMatter’s unique scoring and ranking system to compile a refined list of materials that best suit your application, ensuring that you make informed and efficient choices in your materials selection process. This approach not only streamlines your research efforts but also significantly enhances the overall quality and sustainability of your material choices.

QSimulate presents an array of quantum simulation platforms that harness the principles of quantum mechanics to address intricate, large-scale challenges in life sciences and materials science. The QSP Life platform introduces innovative quantum-enhanced techniques for drug discovery and optimization, facilitating pioneering quantum simulations of ligand-protein interactions that are relevant throughout the entire computational drug discovery journey. Meanwhile, the QUELO platform enables hybrid quantum/classical free energy calculations, empowering users to conduct relative free energy assessments via the free energy perturbation (FEP) method. Furthermore, QSimulate's advancements enable significant progress in quantum mechanics/molecular mechanics (QM/MM) simulations tailored for extensive protein modeling. In the realm of materials science, the QSP Materials platform opens up quantum mechanical simulations to a broader audience, allowing experimentalists to streamline complex workflows without requiring specialized expertise, ultimately fostering greater innovation in the field. This democratization of technology marks a pivotal shift in how researchers can approach and solve scientific problems.

Simcenter Femap is a sophisticated simulation tool designed for the creation, modification, and analysis of finite element models pertaining to intricate products or systems. This software allows users to implement advanced workflows for modeling individual components, assemblies, or entire systems, enabling them to assess how these models react under realistic conditions. Moreover, Simcenter Femap offers robust data-driven capabilities and graphical visualizations for results interpretation, which, when paired with the top-tier Simcenter Nastran, provides a holistic CAE solution aimed at enhancing product performance. As manufacturers strive to develop lighter yet more robust products, there is a growing emphasis on the utilization of composite materials. Simcenter stands at the forefront of composite analysis, continually advancing its material models and element types to meet industry demands. Furthermore, Simcenter accelerates the simulation process for laminate composite materials by providing an integrated connection to composite design, streamlining workflows for engineers in the field. This integration ultimately fosters innovation and efficiency in product development, paving the way for more sustainable manufacturing practices.

Revolutionize the fields of drug discovery and materials research through cutting-edge molecular modeling techniques. Our computational platform, grounded in physics, combines unique solutions for predictive modeling, data analysis, and collaboration, facilitating swift navigation of chemical space. This innovative platform is employed by leading industries globally, serving both drug discovery initiatives and materials science applications across various sectors including aerospace, energy, semiconductors, and electronic displays. It drives our internal drug discovery projects, overseeing processes from target identification through hit discovery and lead optimization. Additionally, it enhances our collaborative research efforts aimed at creating groundbreaking medicines to address significant public health challenges. With a dedicated team of over 150 Ph.D. scientists, we commit substantial resources to research and development. Our contributions to the scientific community include more than 400 peer-reviewed publications that validate the efficacy of our physics-based methodologies, and we remain at the forefront of advancing computational modeling techniques. We are steadfast in our mission to innovate and expand the possibilities within our field.

Ansys LS-DYNA stands out as the leading explicit simulation software widely utilized for various applications, including drop testing, impact analysis, penetration scenarios, collisions, and ensuring occupant safety. Renowned as the most extensively used explicit simulation tool globally, Ansys LS-DYNA excels in modeling the behavior of materials subjected to brief yet intense loading conditions. Its comprehensive suite of elements, contact formulations, and material models enables the simulation of intricate models while allowing precise control over every aspect of the issue at hand. The software offers a broad range of analyses, boasting rapid and effective parallel processing capabilities. Engineers can investigate simulations that involve material failure, examining how such failures evolve through components or entire systems. Additionally, LS-DYNA adeptly manages models with numerous interacting parts or surfaces, ensuring that the interactions and load transfers between complex behaviors are accurately represented. This capability makes LS-DYNA an invaluable tool for engineers facing multifaceted simulation challenges.

Ansys Lumerical Multiphysics serves as advanced software for simulating photonic components, allowing for the integrated design of these elements by effectively capturing the interplay of various multiphysics phenomena such as optical, thermal, electrical, and quantum well interactions, all within a cohesive design platform. Designed specifically for engineering workflows, this user-friendly product design software enhances the user experience, enabling quick design iterations and delivering in-depth insights into actual product performance. By merging real-time physics with precise high-fidelity simulations in an accessible interface, it promotes a shorter time-to-market for innovative designs. Among its key offerings are a finite element design environment, integrated multiphysics workflows, extensive material models, and robust automation and optimization capabilities. The suite of solvers and streamlined processes in Lumerical Multiphysics effectively reflects the complex interactions of physical effects, facilitating accurate modeling of both passive and active photonic components. This comprehensive approach not only enhances design efficiency but also leads to improved product reliability and performance evaluations.

GENOA 3DP is a comprehensive software suite and design tool tailored for additive manufacturing across polymers, metals, and ceramics. Its simulate-to-print capabilities highlight strong performance and user-friendly interaction, making it an effective choice for diverse applications. With the ability to deliver precision at the micro-scale and significantly minimize material waste and engineering time, GENOA 3DP can be swiftly incorporated into any manufacturing process to ensure optimal additive manufacturing outcomes. Rooted in advanced failure analysis techniques and enhanced by multi-scale material modeling, this tool empowers engineers to reliably forecast issues like voids, net shapes, residual stress, and crack propagation in as-built additive manufacturing components. By offering a consistent approach to enhance part quality, decrease scrap rates, and adhere to specifications, GENOA 3DP effectively connects the fields of material science and finite element analysis, ultimately driving innovation in the manufacturing sector. This integration fosters a deeper understanding of material behaviors, paving the way for more efficient production methodologies.

Ansys Granta products, cultivated over a quarter-century, empower organizations to harness, protect, and leverage their Material Intelligence effectively. By facilitating the digitalization of materials knowledge, Ansys assists businesses in selecting appropriate materials for their products and provides educational resources related to materials. The suite of materials information management software offered by Ansys Granta enables companies to fully utilize their internal Material Intelligence. Ansys Granta MI™ serves as a flexible solution, allowing for the creation, management, and storage of crucial material data, while ensuring smooth integration with top CAD, CAE, and PLM systems to maintain consistency across the enterprise. With Ansys Granta Selector, users can make informed material selections by evaluating various properties from an extensive database, ensuring optimal material choices for their specific applications. Additionally, access to an unparalleled materials data library significantly enhances the accuracy of simulations conducted by engineers.

Utilize COMSOL's multiphysics software to replicate real-world designs, devices, and processes effectively. This versatile simulation tool is grounded in sophisticated numerical techniques. It boasts comprehensive capabilities for both fully coupled multiphysics and single-physics modeling. Users can navigate a complete modeling workflow, starting from geometry creation all the way to postprocessing. The software provides intuitive tools for the development and deployment of simulation applications. COMSOL Multiphysics® ensures a consistent user interface and experience across various engineering applications and physical phenomena. Additionally, specialized functionality is available through add-on modules that cater to fields such as electromagnetics, structural mechanics, acoustics, fluid dynamics, thermal transfer, and chemical engineering. Users can select from a range of LiveLink™ products to seamlessly connect with CAD systems and other third-party software. Furthermore, applications can be deployed using COMSOL Compiler™ and COMSOL Server™, enabling the creation of physics-driven models and simulation applications within this robust software ecosystem. With such extensive capabilities, it empowers engineers to innovate and enhance their projects effectively.

Osium AI is an advanced software platform that harnesses artificial intelligence to assist industry leaders in speeding up the creation of sustainable, high-performance materials and chemicals. Utilizing an innovative technology founded on over ten years of expertise and numerous AI patents, Osium AI provides a comprehensive solution that addresses all phases of the materials and chemicals development process, including formulation, characterization, scale-up, and manufacturing. This platform empowers users to swiftly predict any material or chemical property within seconds, create optimal research and development experiment plans, and quickly analyze material characteristics and flaws. Additionally, it allows for the optimization of current processes, leading to reduced costs, improved material properties, and lower CO₂ emissions. With its adaptable software, Osium AI is equipped to support a wide range of R&D projects while accommodating the ever-changing demands of the industry. Overall, the platform stands out as a crucial tool for enhancing innovation in materials science.

DIGIMU® creates digital polycrystalline microstructures that accurately reflect the material's heterogeneities, ensuring compliance with the intricate topological features of the microstructure. The boundary conditions applied to the Representative Elementary Volume (REV) mimic the experiences of a material point at the macroscopic level, particularly during the thermomechanical cycles relevant to that specific point. Utilizing a Finite Element formulation, the software simulates the various physical phenomena occurring in metal forming processes, such as recrystallization, grain growth, and Zener pinning caused by second phase particles. To enhance digital accuracy and minimize computation times, DIGIMU® employs advanced automated anisotropic meshing and remeshing adaptation technology, which allows for a detailed representation of grain boundaries while optimizing the number of elements used. This innovative approach not only streamlines the computational process but also improves the reliability of the simulations, making it a powerful tool for material scientists.

Quantum computing paves the way for the swift and cost-efficient creation of novel molecules and materials. InQuanto, an advanced platform for quantum computational chemistry, marks a significant advancement towards achieving this objective. The field of quantum chemistry seeks to precisely characterize and forecast the essential properties of matter, making it an invaluable asset for the innovation and formulation of new substances. Nonetheless, the intricacies of industrially relevant molecules and materials present challenges for accurate simulation. Current technologies necessitate a compromise, forcing users to choose between utilizing highly precise methods on minimal systems or resorting to approximations. InQuanto's adaptable workflow allows both computational chemists and quantum algorithm engineers to seamlessly integrate cutting-edge quantum algorithms with sophisticated subroutines and error mitigation techniques, optimizing performance on existing quantum platforms. This flexibility not only enhances research outcomes but also fosters collaboration among experts in the field, driving further innovation.

Avogadro serves as a sophisticated molecular editor and visualizer that operates across multiple platforms, catering to fields such as computational chemistry, molecular modeling, bioinformatics, and materials science. With its ability to provide flexible, high-quality rendering alongside a robust plugin architecture, it enhances user experience significantly. This free, open-source tool is compatible with Mac, Windows, and Linux, making it accessible to a wide range of users in scientific disciplines. Its design emphasizes not only functionality but also adaptability to various research needs.

NobleAI empowers businesses to hasten the creation of high-performance, eco-friendly, and responsibly sourced chemical and material products. We at NobleAI hold the conviction that advancements in materials science and chemistry are crucial for fostering a sustainable future, with AI playing a pivotal role in realising this vision. Our science-driven AI represents a robust integration of innovative artificial intelligence methods and comprehensive scientific knowledge, tailored specifically for product development. By merging data-informed insights with scientifically validated design, we achieve significantly enhanced accuracy while requiring considerably less data and shorter training durations. This approach not only uncovers deeper insights but also promotes greater transparency, interpretability, and adherence to scientific principles, ultimately leading to more informed decision-making in material innovation. As we continue to refine our methods, our commitment to sustainability remains at the forefront of our mission.

ProSteel software enables the efficient creation of precise 3D models for structural steel, metal projects, and steel assemblies. It allows users to swiftly generate design drawings, fabrication details, and schedules that automatically update in response to any modifications made to the 3D model. Furthermore, the software provides detailed outputs for CNC machines, streamlining the steel fabrication process. ProSteel is designed to support your construction and planning efforts for structural steel and metal work within a 3D modeling environment. When used alongside AutoCAD or MicroStation, it offers an intuitive and integrated multi-material modeler that is ideal for designing complex structures, producing shop drawings, assembling connections, and managing bills of materials. You can quickly extract 2D drawings that will adjust automatically when the 3D model is altered. Additionally, ProSteel's interoperability with other Bentley and third-party applications facilitates seamless information exchange across different disciplines, improving collaboration and efficiency throughout the project lifecycle. This capability enhances the overall workflow, making it easier to coordinate tasks among various teams involved in the construction process.

Signals Notebook boasts a contemporary user interface similar to those found in popular personal applications, minimizing the need for extensive training; users can quickly get started. This ease of use is a key factor in why it has become the preferred electronic lab notebook for a wide array of organizations, ranging from small teams of 4-5 research scientists to some of the largest biotech and pharmaceutical companies globally. Its adaptability and capability to accommodate diverse workflows—covering areas such as chemistry, biology, formulations, analytical sciences, and materials sciences—make it a valuable tool now and in the future. With over 1 million scientists across 4,000 organizations relying on Signals Notebook to enhance their workflow efficiency, it is evident that the platform is well-regarded in the scientific community. Additionally, its structured data capture features, coupled with APIs and integration interfaces for instruments, in-house systems, and databases, further enhance its utility. This combination of user-friendliness and advanced functionality is what sets Signals Notebook apart in a competitive market.

AQChemSim is an innovative cloud-based platform created by SandboxAQ that utilizes Large Quantitative Models (LQMs) based on principles of physics and chemistry to transform the landscape of materials discovery and enhancement. By incorporating techniques such as Density Functional Theory (DFT), Iterative Full Configuration Interaction (iFCI), Generative AI, Bayesian Optimization, and Chemical Foundation Models, AQChemSim facilitates precise simulations of molecular and material dynamics in real-world scenarios. The platform's features allow it to forecast performance under diverse stress conditions, expedite formulation via in silico testing, and investigate eco-friendly chemical processes. Remarkably, AQChemSim has achieved notable progress in battery technology, cutting the prediction time for lithium-ion battery end-of-life by 95%, while also attaining 35 times greater accuracy with a mere fraction of the data previously required. This advancement not only streamlines research but also paves the way for more efficient and sustainable energy solutions in the future.

BIOVIA COSMOtherm represents a sophisticated implementation of COSMO-RS that merges principles of quantum chemistry with thermodynamics to forecast the thermodynamic characteristics of liquid substances. It computes the chemical potential of molecules in both pure and mixed liquids at varying temperatures, thus allowing for the estimation of various properties including solubility, partition coefficients, vapor pressures, and phase diagrams. In contrast to other approaches, COSMOtherm utilizes thermodynamically consistent equations to derive properties as a function of concentration and temperature, which enhances its accuracy. This tool is capable of predicting the solubility of liquids, solids, and gases, as well as providing values for activity coefficients, two-phase partitioning such as LogP, phase behavior, vapor pressures, free energy of solvation, pKa, energy of transfer to liquid-liquid interfaces, micellar and membrane partitioning, and interfacial tension. Additionally, COSMOtherm is equipped with a user-friendly graphical interface alongside a command-line version, facilitating smooth integration into pre-existing workflows, making it a versatile choice for researchers in the field. Its comprehensive capabilities make it a valuable asset for those seeking to understand complex liquid systems more thoroughly.

Introducing Albert, the comprehensive platform transforming materials science for the AI era. From the initial stages of molecular design to the final steps of industrial production, we understand the hurdles that come with chemical advancement. Developed by seasoned professionals in the industry, Albert addresses the genuine requirements of chemists to tackle current challenges and foster future innovations. Eliminate barriers within your research and development processes using Albert’s all-inclusive platform. By integrating ELN, LIMS, AI/ML, automated SDS generation, and more, Albert delivers a cohesive knowledge stream throughout R&D, facilitating innovation like never before. Empower every scientist in your organization with AI capabilities that enhance their work. Albert’s tailored AI functions similarly to a chemist, optimizing formulations and speeding up experiments, allowing you to bring new products to market over 50% faster. With a user-friendly interface and collaborative deployment, based on our extensive lab expertise, we guarantee a smooth integration into your existing workflows, ensuring you maximize productivity. Ultimately, Albert is not just a tool; it's a partner in your journey toward groundbreaking discoveries.

The CrowdChem Data Platform serves as an innovative knowledge hub tailored for the chemistry sector, utilizing data gathered through independent means. This platform empowers users to efficiently choose raw materials and identify potential customers via its advanced data analysis capabilities and text mining techniques. For instance, it facilitates the exploration of novel raw material combinations, enhances the precision of chemical product usage research, and generates lists of prospective customers for various companies. Users benefit from the ability to navigate a vast repository of information sourced from patents, academic papers, catalogs, and news articles, thus streamlining the process of data retrieval. By leveraging machine learning and natural language processing technologies, the platform allows for seamless raw material selection and customer identification, while also supporting competitive analysis and additional functionalities. Ultimately, this integration of cutting-edge technology enhances overall efficiency and decision-making in the chemistry domain.

Kebotix is a pioneering technology platform focused on the development of new chemicals and materials, heralding a transformative era of rapid innovation through the integration of artificial intelligence and robotic automation. The company has introduced the world's first autonomous laboratory dedicated to materials discovery, driven by AI and robotics, which revolutionizes traditional research methods. By greatly enhancing the exploration, discovery, utilization, and production of novel molecules and materials, Kebotix aims to address some of the most pressing challenges faced globally. Collaborate with us to expedite the market introduction of your products while leveraging our cutting-edge material design technologies that are enabled by our self-driving lab. Kebotix propels your research and development efforts into the new digital frontier by offering tailored enterprise AI solutions specifically designed for materials discovery. With our automated learning system that improves with each cycle of predict-produce-prove, we empower you to deliver superior products to market more swiftly than ever before. This innovative approach not only saves time but also significantly enhances the efficiency of the research process.

Dotmatics is the global leader in R&D scientific software that connects science, data, and decision-making. More than 2 million scientists and 10,000 customers trust Dotmatics to accelerate research and help make the world a healthier, cleaner, and safer place to live.

Ansys Granta EduPack, previously known as CES EduPack, is an exceptional collection of educational materials aimed at assisting educators in enriching courses focused on materials in engineering, design, science, and sustainable development. This resource serves to bolster undergraduate education in materials science, offering a comprehensive database of materials and processes, selection tools, and various supplementary resources. The program is structured into three distinct levels, allowing students to engage with the appropriate depth of information as they advance through their academic journey. Furthermore, Granta EduPack accommodates a diverse range of teaching methodologies, catering to both design-oriented and science-driven approaches, as well as problem-based learning environments. As students progress from pre-university to postgraduate studies, they can utilize the database and tools tailored to their educational stage, ensuring effective learning at every level. This thoughtful organization makes Granta EduPack an invaluable asset for educators and students alike.

Integrate the digital and physical realms through the Dassault Systèmes 3DEXPERIENCE® platform to enable collaboration, modeling, optimization, and operational performance. Establish the layout of the plant, including the flow, assets, and resources required for effective and safe product manufacturing. Enhance the definitions of products and resources; outline and confirm a process plan while developing work instructions that align with production targets. Optimize supply chain planning across all time frames; improve visibility with scheduling and planning to reduce interruptions. Revolutionize international production processes to attain and maintain operational excellence through Manufacturing Operations Management. Additionally, oversee and regulate operational processes on a worldwide scale to ensure consistency and efficiency.

Microsoft Discovery is an advanced AI-powered platform designed to accelerate scientific discovery by enabling researchers to collaborate with a team of specialized AI agents. This platform leverages a graph-based knowledge engine that connects diverse scientific data, allowing for deep, contextual reasoning over complex and often contradictory theories. Researchers can customize AI agents to align with their specific domains and tasks, making it easier to manage and orchestrate research efforts. Built on Microsoft Azure, Discovery ensures a high level of trust, transparency, and compliance, offering an enterprise-ready solution. The platform has already been used to accelerate the development of a novel coolant for data centers, cutting the discovery time from months to just 200 hours. This demonstrates the transformative potential of AI in R&D, providing researchers with the tools to unlock new possibilities and innovations at scale.

BIOVIA COSMO-RS serves as an extensive toolkit for modeling and forecasting fluid phase characteristics, which empowers professionals such as chemical engineers, chemists, formulation experts, and materials scientists to innovate and develop solutions more rapidly and effectively than relying solely on traditional testing and experimentation methods, thereby enhancing innovation while minimizing costs. The simulations conducted using COSMO-RS are grounded in a solid scientific framework, guaranteeing dependable predictions across the entire spectrum of liquid-state chemistry. By employing a first-principle methodology, it is capable of forecasting the properties of new compounds that have yet to be synthesized, pushing the boundaries of known chemical territory. The team behind BIOVIA consists of the original creators of COSMO-RS, providing prompt assistance and unparalleled expertise to tackle even the most complex challenges in solution thermodynamics. Additionally, the primary advantages encompass a solid scientific basis that merges quantum chemistry with thermodynamics to assure both accuracy and reliability, fostering a deeper understanding of fluid behaviors in various contexts. This comprehensive approach not only streamlines the research process but also opens up new avenues for exploration within the field.

Atinary's Self-Driving Labs (SDLabs) platform offers a no-code solution for AI and machine learning, aimed at transforming research and development workflows by allowing conventional laboratories to move from hands-on experiments to fully autonomous experimentation. This platform enhances the design and refinement of experiments through a comprehensive closed-loop system that incorporates AI-generated hypotheses, forecasts, and decisions. Among its notable features are multi-objective optimization, efficient database management, streamlined workflow orchestration, and real-time data analysis. Users have the capability to set experimental parameters with specific constraints, enabling machine learning algorithms to determine the next steps in the process, conduct experiments either manually or with robotic aid, analyze outcomes, and update models with the latest data, thus expediting the pursuit of improved, cost-effective, and environmentally friendly products. Additionally, Atinary offers proprietary algorithms, including Emmental for tackling non-linear constrained optimization, SeMOpt for implementing transfer learning in Bayesian optimization, and Falcon, which collectively enhance the platform's functionality and effectiveness. By leveraging these advanced tools, researchers can achieve greater efficiency and innovation in their experimental processes.

ChemSep is an advanced column simulator utilized for processes such as distillation, absorption, and extraction, which seamlessly integrates both classic equilibrium stage models and nonequilibrium (rate-based) models within a user-friendly interface. This software boasts an extensive library containing capacity and mass transfer performance parameters for various trays and packings, enhancing the accuracy of modeling real-world column performance. With its design mode, ChemSep offers automatic simulation capabilities and facilitates the determination of column diameter based on specified flood fractions, while incorporating industry-standard design methods and pressure drop calculations for both trayed and packed columns. The program is versatile, supporting a wide range of column configurations and specifications that empower users to effectively address separation challenges. Additionally, ChemSep can function as a standalone tool or be integrated into any CAPE-OPEN compliant flowsheeting software, taking advantage of the relevant thermodynamic and physical property data to optimize its performance. Ultimately, this flexibility makes ChemSep an invaluable asset for engineers and researchers in the field of chemical separation processes.

Khimera serves as a tool for determining the kinetic parameters associated with microscopic processes, as well as the thermodynamic and transport characteristics of various substances and their mixtures within gases, plasmas, and at the gas-solid interface. Its main users include engineers and researchers who focus on developing kinetic models and engaging in thermodynamic and kinetic simulations pertinent to fields such as chemical engineering, combustion, catalysis, metallurgy, and microelectronics. This software is particularly well-suited for multi-scale modeling, as it connects the fundamental molecular properties of individual molecules with the ensemble-averaged characteristics of the reactive medium, encompassing thermodynamic and transport properties along with the rates of chemical reactions. Additionally, Khimera allows for the integration of quantum-chemical simulation results, enabling users to derive properties without requiring any experimental data from their side. By bridging the gap between different scales of modeling, Khimera enhances the understanding of complex systems in various scientific domains.

OilProp is a software tool crafted to evaluate the essential thermophysical characteristics of oil and its derivatives, facilitating transportation and processing tasks while requiring minimal input data. It leverages established patterns and statistical data commonly recognized in the field. The Basic Calculation feature determines thermophysical properties under atmospheric pressure and at a temperature of 20 degrees Celsius (68 degrees Fahrenheit). The outcomes of these calculations play a crucial role in conducting hydraulic analyses of pipelines and in the design of equipment for storage, temperature regulation, transportation, mixing, and homogenization of oil and its derivatives. Additionally, the program includes an Additional Calculation function, which computes the thermophysical properties of substances in both liquid and gas phases at specified absolute pressure and temperature, specifically within the under-critical range, thereby enhancing its versatility for various applications. This comprehensive approach ensures users can accurately assess and manage the properties of oil across different scenarios efficiently.

nCode DesignLife serves as a proactive design tool that pinpoints essential areas and estimates realistic fatigue lifespans based on top finite element (FE) analysis results applicable to both metals and composites. This innovative tool empowers design engineers to enhance their approach beyond basic stress assessments, enabling them to simulate real-world loading scenarios and thereby mitigate the risks of both under-design and over-design in their products, which can lead to expensive modifications later on. Additionally, the software offers features like virtual shaker testing, fatigue analysis for welds, vibration fatigue assessments, crack growth monitoring, fatigue evaluation for composites, and thermo-mechanical fatigue studies. It leverages advanced technologies for analyzing multiaxial stress, weld integrity, short-fiber composites, vibrational impacts, crack propagation, and thermal stress fatigue. With a user-friendly graphical interface, it facilitates comprehensive fatigue analysis using data from leading FEA tools such as ANSYS, Nastran, Abaqus, Altair OptiStruct, LS-Dyna, among others. Moreover, it incorporates multi-threaded and distributed processing capabilities, enabling efficient handling of large finite element models and optimizing overall usage schedules. This powerful combination of features ultimately ensures that engineers can deliver more reliable and efficient designs.

DesignCalc software offers users a comprehensive set of features, complemented by an integrated library of industry standards and effective practices that simplify compliance with ASME BPVC Section VIII for pressure vessel design like never before. It includes Finite Element Analysis (FEA) tools that facilitate rapid and straightforward assessments. NozzlePRO serves as a robust and efficient 3-D FEA application, adept at modeling nozzles, saddles, pipe shoes, and clips. Users can enhance their designs by performing calculations that determine either pressure or thickness. This allows for the use of the slimmest materials available while still adhering to necessary codes. Additionally, the software can produce industry-standard report formats that encompass the actual calculations utilized, making them ready for thorough review by inspectors. This ensures that all aspects of pressure vessel design are not only efficient but also compliant with industry regulations.

Aurora utilizes principles of quantum mechanics and thermodynamics alongside a sophisticated continuous water model to assess the solvation effects on ligand binding affinities. This methodology is significantly different from the traditional scoring functions typically employed for predicting binding affinities. By integrating entropy and aqueous electrostatic contributions directly into the computations, Aurora's algorithms yield far more precise and reliable binding free energy values. The interaction between a ligand and a protein is fundamentally defined by the binding free energy value. This free energy (F) serves as a thermodynamic measure that correlates directly with the experimentally determined inhibition constant (IC50), influenced by factors such as electrostatic interactions, quantum effects, aqueous solvation forces, and the statistical characteristics of the molecules involved. Non-additivity in F arises primarily from two key components: the electrostatic and solvation energy, and the entropy, which together contribute to the complexity of ligand-protein interactions. Understanding these contributions is essential for the accurate prediction of binding affinities in drug design and molecular biology.

AVEVA PRO/II™ Simulation serves as a steady-state simulator that enhances plant efficiency by refining process design, conducting operational analyses, and executing engineering studies. By offering a comprehensive approach to optimization, AVEVA PRO/II Simulation focuses on enhancing plant performance through the improvement of process design and operational analysis while also conducting in-depth engineering studies. Capable of performing complex heat and material balance calculations for an extensive array of chemical processes, this simulation tool presents a diverse selection of thermodynamic models applicable across multiple industries. It allows users to devise new processes and assess alternative plant configurations to achieve the most economical operations. Now accessible via the cloud, AVEVA PRO/II Simulation provides on-demand availability, straightforward maintenance, and adaptable usage options. Additionally, users can benefit from a highly experienced support team with over 15 years in the field, ensuring assistance whenever needed. Overall, AVEVA PRO/II Simulation stands out as a robust solution for optimizing plant performance, streamlining design processes, and enhancing operational efficiency.

MechaniCalc, created by MechaniCalc, Inc., offers a collection of online calculators that specialize in machine design and structural analysis. These tools deliver detailed and thorough analyses that meet industry standards, while remaining user-friendly and easy to navigate. By utilizing these calculators, users can expedite their design and analysis processes, enhancing both speed and confidence in their work. The platform features an extensive array of calculators aimed at streamlining mechanical engineering tasks. Each calculator is accompanied by comprehensive documentation that provides usage instructions along with validation cases, demonstrating how the calculator outputs correlate with established textbook solutions to specific problems. Additionally, the site offers in-depth reference materials covering various mechanical engineering topics and explains the methodologies used in the calculators. Users enjoy unrestricted access to all calculators and content available on the platform, along with the capability to create custom materials and cross-sections for integration into the calculators. This empowers engineers to tailor their design processes to meet specific project requirements effectively.

RSTAB is a powerful software that allows structural engineers to meet the requirements of modern civil engineering. It provides a 3D beam, frame or truss calculation. Use the RSTAB software to design beam, frame or truss constructions made of steel, concrete, wood, aluminum or other materials. RSTAB allows you to quickly and easily define a structure model, then calculate internal forces, deformations and support reactions. You can use the design add-ons to take into account material- and standard specific requirements.