Amin Alibakhshi
6PUBLICATIONS
3CO-AUTHORS
Get your video featured.
Publish with JoVEGet your video featured.
Publish with JoVE
Publications (6)
Sort by Publication Date:
|Nov 13, 2024
Hydrogen diffusion on Ni(100): A combined machine-learning, ring polymer molecular dynamics, and kinetic Monte Carlo study.J Steffen, A Alibakhshi
|Aug 02, 2024
On the Theoretical Quantification of Radii of Atoms in Molecules.Amin Alibakhshi, Lars V Schäfer
|Jul 19, 2024
Electron iso-density surfaces provide a thermodynamically consistent representation of atomic and molecular surfaces.Amin Alibakhshi, Lars V Schäfer
|Mar 14, 2023
Comparison of Implicit and Explicit Solvent Approaches in Ab Initio Evaluation of Thermochemistry in Solution: Application in Studying Boron Isotope Fractionation in Water.Amin Alibakhshi, Julien Steffen, Carlos Pinilla
|Mar 11, 2022
Implicitly perturbed Hamiltonian as a class of versatile and general-purpose molecular representations for machine learning.Amin Alibakhshi, Bernd Hartke
|Jun 19, 2021
Improved prediction of solvation free energies by machine-learning polarizable continuum solvation model.Amin Alibakhshi, Bernd Hartke
Pageof 1
