3 citations · 3 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2025
Optimizing adsorption configurations on alloy surfaces using Tensor Train Optimizer
Tuan Minh Do, Tomoya Shiota, Wataru Mizukami
Understanding how molecules arrange on surfaces is fundamental to surface chemistry and essential for the rational design of catalytic and functional materials. In particular, the…
physics.chem-ph2024★ 3 cited
Taming Multi-Domain, -Fidelity Data: Towards Foundation Models for Atomistic Scale Simulations
Tomoya Shiota, Kenji Ishihara, Tuan Minh Do +2
Machine learning interatomic potentials (MLIPs) are changing atomistic simulations in the field of chemistry and materials science. However, constructing a single universal MLIP th…