Nikolai V Krivoshchapov

6PUBLICATIONS
13CO-AUTHORS
Statistical mechanics in chemistryPolymerisation mechanismsStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterBiomolecular modelling and designOrganic chemical synthesis
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Publications (6)

|Apr 13, 2026
Free Energy of a Solvent Molecule: Conventional Ideal Gas Approximation versus Experimental Thermodynamics Data.

Egor A Eliseev, Julia A Velmiskina, Nikolai V Krivoshchapov

|Jun 05, 2025
Physics-Informed Bayesian Optimization for Conformational Ensemble Augmentation.

Ivan A Bespalov, Nikolai V Krivoshchapov, Alexey A Lisov

|Mar 12, 2025
Hamiltonian replica-exchange method α-REMD for ring spearing elimination in polymers.

Artem Yu Kunitsyn, Nadezhda A Nekrasova, Nikolai V Krivoshchapov

|Dec 06, 2024
Informing Empirically Fitted Density Functionals about the Physics of Interelectronic Interactions.

Timofey V Losev, Ilya D Ivanov, Igor S Gerasimov

|May 22, 2024
Accurate and Efficient Conformer Sampling of Cyclic Drug-Like Molecules with Inverse Kinematics.

Nikolai V Krivoshchapov, Michael G Medvedev

|Jul 15, 2021
Stereoelectronic power of oxygen in control of chemical reactivity: the anomeric effect is not alone.

Igor V Alabugin, Leah Kuhn, Michael G Medvedev

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Frequent Collaborators

6 joint publications

Michael G Medvedev

1 joint publications

Igor V Alabugin

1 joint publications

Leah Kuhn

1 joint publications

Vera A Vil'