Leonid Pereyaslavets

4PUBLICATIONS
6CO-AUTHORS
Surface water hydrologyTheoretical quantum chemistryNumerical modelling and mechanical characterisationComputational chemistry
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Publications (4)

|Jun 06, 2024
The Determination of Free Energy of Hydration of Water Ions from First Principles.

Oleg Butin, Leonid Pereyaslavets, Ganesh Kamath

|Jan 19, 2024
Neural Network Corrections to Intermolecular Interaction Terms of a Molecular Force Field Capture Nuclear Quantum Effects in Calculations of Liquid Thermodynamic Properties.

Igor V Kurnikov, Leonid Pereyaslavets, Ganesh Kamath

|Jan 17, 2024
Combining Force Fields and Neural Networks for an Accurate Representation of Bonded Interactions.

Ganesh Kamath, Alexey Illarionov, Serzhan Sakipov

|Sep 03, 2016
Prediction of cyclohexane-water distribution coefficient for SAMPL5 drug-like compounds with the QMPFF3 and ARROW polarizable force fields.

Ganesh Kamath, Igor Kurnikov, Boris Fain

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Frequent Collaborators

3 joint publications

Serzhan Sakipov

3 joint publications

Christopher Lock

3 joint publications

Boris Fain

2 joint publications

Ganesh Kamath