default author photo

Timofei Miryashkin

Skolkovo Institute of Science and Technology

Novaya St., 100

Skolkovo, 143025

Russia

  • Skolkovo Institute of Science and Technology

SCHOLARLY PAPERS

1

DOWNLOADS

56

TOTAL CITATIONS

0

Scholarly Papers (1)

Actions:
Email selected abstracts
1.

Automated Prediction of Thermodynamic Properties via Bayesian Free-Energy Reconstruction from Molecular Dynamics

Number of pages: 35 Posted: 09 Sep 2025
Ekaterina Spirande, Timofei Miryashkin, Andrei Kolmakov and Alexander V. Shapeev
affiliation not provided to SSRN, Skolkovo Institute of Science and Technology, affiliation not provided to SSRN and Skolkovo Institute of Science and Technology
Downloads 56 (1,010,164)

Abstract:

Loading...

free energy, thermodynamic properties, Bayesian learning, nuclear quantum effects, molecular dynamics