Simulation– tag –
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Machine-Learned Interatomic Potential Developed for Tungsten-Boron Surface Sputtering via tabGAP Framework, Guiding MXene Defect Engineering
arXiv International Overview A machine-learned interatomic potential (MLIP) has been developed using the tabGAP framework to simulate sputtering behavior of tungsten-boron (W-B) surfaces at large scales. Trained with density functional t... -
ACS Publications: Deep Learning Foundation Models from Classical Molecular Descriptors Accelerate Molecule Discovery in Low-Data Regimes
ACS Publications USA Overview A research paper in ACS Publications explores deep learning foundation models for low-data regimes derived from classical molecular descriptors. By pre-training models to predict these descriptors, they inte... -
Aluminum Alloy Components Boost AI Sensor Reliability in Extreme Temperatures, Optimized by Machine Learning Design
Industry Today China Overview Aluminum alloy components play a crucial role in ensuring the reliability of AI sensors in extreme temperature environments. Machine learning algorithms optimize the thermal performance of these parts, while... -
Apple Acquires PlasmaSolve s.r.o. to Enhance Advanced Manufacturing and Material Science Capabilities
Signalbase USA Overview Apple has acquired PlasmaSolve s.r.o., a European engineering firm specializing in simulation-based process design and optimization. This acquisition aligns with Apple's strategic commitment to advanced manufactur... -
Matlantis Webinar Accelerates Computational Materials Design with Integrated CALPHAD, DFT, MLIPs, and AI Agents
Matlantis Japan Overview Matlantis offers an on-demand webinar accelerating computational materials design by integrating CALPHAD, Density Functional Theory (DFT), Machine Learning Interatomic Potentials (MLIPs), and AI-assisted simulati... -
Purdue University Secures $19M NSF Grant to Build AI-Driven Cloud Labs for Semiconductors, Advanced Materials
Purdue University (via Building Indiana) USA Overview Purdue University has received a $19 million grant from the U.S. National Science Foundation (NSF) to establish the 'Intelligent Codesign Cloud Lab (ICoN-PCL)' for semiconductors and ... -
BASF ECMS Deploys Orbital Industries’ AI Materials Discovery Platform ‘CurieOS’ to Accelerate Automotive Catalyst R&D
Just Auto Germany Overview BASF Environmental Catalyst and Metal Solutions (BASF ECMS) has adopted 'CurieOS,' an AI-powered materials discovery platform developed by Orbital Industries, to accelerate research and development of catalysts... -
Queen Mary University of London Researchers Advance Versatile Quantum Computing with Theoretical Framework for Bose-Hubbard Model Quantum Simulation
Queen Mary University of London UK Overview Researchers including those from Queen Mary University of London have developed a theoretical framework for quantum simulation of the Bose-Hubbard model, aiming for more versatile quantum compu... -
Fraunhofer IWM Advances Materials Research Using IBM Quantum Computers with Hybrid Quantum-Classical Simulation
Fraunhofer IWM Germany Overview Fraunhofer IWM is actively researching the application of quantum computing to materials research, particularly for simulating complex quantum mechanical systems like molecules and solids. Their projects a... -
arXiv Paper “ChemWorld” Introduces Programmable Chemical Worlds for Controlled & Replayable Agent Experimentation in Autonomous Chemistry
arXiv International Overview An arXiv preprint introduces "ChemWorld," a framework for programmable chemical worlds designed to enable controlled and replayable agent experimentation, emphasizing how recent advancements in self-driving l...
