Alexei Nikitin

4PUBLICATIONS
2CO-AUTHORS
Statistical mechanics in chemistryMetal cluster chemistryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)
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Publications (4)

|Jun 07, 2024
Simulation of Linear and Cyclic Alkanes with Second-Order Møller-Plesset Perturbation Theory through Adaptive Force Matching.

Alexei Nikitin, Feng Wang

|Apr 05, 2021
Partial charges for molecular-mechanical models of heterocyclic compounds: pyridine nitrogen.

Alexei Nikitin, Vladimir Chekhov

|Feb 22, 2021
To the fast calculation of the solvation free energy. Combining expanded ensembles with L2MC.

Alexei Nikitin, Vladislava Milchevskaya, Alexander Lyubartsev

|Nov 27, 2019
Non-zero Lennard-Jones parameters for the Toukan-Rahman water model: more accurate calculations of the solvation free energy of organic substances.

Alexei Nikitin

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Frequent Collaborators

1 joint publications

Alexander Lyubartsev

1 joint publications

Feng Wang