Simulation– tag –
-
EE Times: AI Adoption in Materials R&D Hinges More on People Than Technology, Toyota Example Highlights Accelerated Development
EE Times USA Overview EE Times argues that AI adoption in materials R&D increasingly depends on people and organizational factors rather than technological capabilities, as neural network potentials now offer DFT-comparable accuracy ... -
PMC: Data-Driven Quantum Simulation with Rydberg Atoms Advances Closed-Loop Exploration of Artificial Quantum Materials
PMC International Overview A PMC review highlights Rydberg atom arrays as a versatile platform for data-driven quantum simulation of artificial quantum materials and strongly correlated systems, focusing on engineering and probing materi... -
ACS Publications: OMol25-Trained MLIPs Enable High-Accuracy, High-Throughput Na-ion Battery Electrolyte Solvation Structure Prediction with Experimental Verification
ACS Publications USA Overview An ACS Publications paper demonstrates that OMol25-trained machine learning interatomic potentials (MLIPs) provide an efficient and accurate route to predictive, high-throughput electrolyte simulations for n... -
ACS Omega: Generative Models & MD Simulations Discover Electrolyte for High-Voltage, Low-Temp Li-ion Batteries
ACS Omega USA Overview Researchers deployed the generative machine learning model G-SchNet, trained on the QM9-GCDQE database, to accelerate electrolyte discovery for lithium-ion batteries operating at high voltages and low temperatures.... -
Forbes Highlights Quantum Computing as Key to Chemistry & Materials Science Innovation via Molecular Simulation
Forbes USA Overview Forbes emphasizes quantum computing's emergence as a valuable tool for chemistry and materials science, particularly for molecular simulation in drug design, catalysis, and advanced materials research. It aims to over... -
Galatic Explores Quantum Computing’s Future in Polymer Simulation, Highlighting Hybrid R&D Applications
Galatic International Overview A Galatic article discusses the growing role of quantum computing in polymer simulation and development, emphasizing its potential to complement classical and AI toolkits. Quantum computers' ability to comp... -
BASF ECMS Deploys Orbital Industries’ CurieOS AI Platform to Accelerate Catalyst Development, Shortening Research Cycles
Inspenet Germany Overview BASF Environmental Catalyst and Metal Solutions (ECMS) has adopted CurieOS, an AI-powered materials discovery platform developed by Orbital Industries, for catalyst innovation in automotive emissions systems. Th... -
Argonne Lab’s Multi-Agent AI System Accelerates New Material Discovery from Months to Days
Argonne National Laboratory USA Overview Argonne National Laboratory researchers have engineered an AI-driven system leveraging multiple AI agents to automate atomistic simulations, slashing the discovery timeline for new materials from ... -
SCAPS-1D Simulation Unveils Thermal Performance Limitations in Lead-Free CH3NH3SnBr3 Perovskite Solar Cells
MDPI International Research Overview A SCAPS-1D simulation study investigated the thermal effects on lead-free CH3NH3SnBr3 perovskite solar cells across a 270-400 K range, revealing significant performance degradation at higher temperatu... -
IBM and Qedma Achieve Quantum Advantage in Materials Simulation on IBM Quantum Heron Processor, Enabling 74-Qubit Dynamics
Investing.com USA Overview IBM and Qedma Quantum Computing have demonstrated quantum advantage in simulating quantum materials using IBM’s Quantum Heron processor and Qedma’s error mitigation software. This breakthrough enables the study...
