2 citations · 2 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2026
Optimizing the Optimizer: Language Models Discover Faster Molecular Relaxation Algorithms
Artem Tsypin, Vladimir Deshchenya, Kuzma Khrabrov +4
Geometry optimization is a major cost in many quantum-chemical workflows: each optimization step requires one force evaluation, and at the density-functional level that evaluation…
cond-mat.soft2025★ 2 cited
Microsecond-scale sucrose conformational dynamics in aqueous solution via molecular dynamics methods
Vladimir Deshchenya, Kirill Gerke, Nikolay Kondratyuk
Molecular dynamics methods have proven their applicability for the reproduction and prediction of molecular conformations during the last decades. However, most of works considered…