2 papers
physics.chem-ph2026
Discovering Reaction Mechanisms with Transition Path Sampling-Based Active Learning of Machine-Learned Potentials
Ashique Lal, Rik S. Breebaart, Peter G. Bolhuis +1
Machine-learned interatomic potentials (MLPs) provide near density functional theory (DFT) accuracy at reduced computational cost, but their reliability depends on representative t…
physics.app-ph2024
Vanadium Doped Magnetic MoS2 Monolayers of Improved Electrical Conductivity as Spin-Orbit Torque Layer
Krishna Rani Sahoo, Manoj Talluri, Dipak Maity +6
Two-dimensional (2D) transition metal di-chalcogenide layers with high electrical conductivity and spin-orbit coupling (SOC) can find huge potential in spintronic devices. With lim…