2 papers
cond-mat.mtrl-sci2026
Polaron Conductivity in -Fe2O3 Quenched by Adsorbed NO2
Tushar K. Ghosh, Elvar Ã. Jónsson, Stephan Steinhauer +2
Polaron-mediated charge transport in α-Fe2O3 plays a central role in its performance as a gas-sensing material, yet the atomistic interaction between surface adsorbates and polaro…
physics.chem-ph2024
Reweighted Manifold Learning of Collective Variables from Enhanced Sampling Simulations
Jakub Rydzewski, Ming Chen, Tushar K. Ghosh +1
Enhanced sampling methods are indispensable in computational physics and chemistry, where atomistic simulations cannot exhaustively sample the high-dimensional configuration space…