Latest

• ProvMind: provenance-grounded reasoning for materials synthesis
• Update of PHYSBO: Improving Usability and Portability of Bayesian Optimization for Physics and Materials Research
• MolAtlas: a visualization framework for molecular property distributions to guide functional molecule development
• Open electrolyte database generated via an automated molecular dynamics simulation framework
• Black-box optimization using factorization and Ising machines
• Collecting diverse near-optimal samples via nested Thompson sampling
• Factorization Machine with Iterative Quantum Reverse Annealing: A Python Package for Batch Black-Box Optimization With Reverse Quantum Annealing
• Molecular Design with Artificial Intelligence: Progress and Perspectives for Small Molecules
• Bayesian diversity control for batch-based phase diagram determination
• aLLoyM: a large language model for alloy phase diagram prediction