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The Journal of Chemical Physics
|
February 2, 2026
Harmonic-to-anharmonic thermodynamic integration made simple using REG TI
Venkat Kapil
Proceedings of the National Academy of Sciences of the United States of America
|
February 8, 2022
A complete description of thermodynamic stabilities of molecular crystals
Venkat Kapil, Edgar A Engel
The Journal of Chemical Physics
|
March 17, 2018
Fine tuning classical and quantum molecular dynamics using a generalized Langevin equation
Mariana Rossi, Venkat Kapil, Michele Ceriotti
The Journal of Physical Chemistry. B
|
May 8, 2018
Anisotropy of the Proton Momentum Distribution in Water
Venkat Kapil, Alice Cuzzocrea, Michele Ceriotti
The Journal of Chemical Physics
|
December 25, 2016
High order path integrals made easy
Venkat Kapil, Jörg Behler, Michele Ceriotti
The Journal of Physical Chemistry Letters
|
August 6, 2021
Importance of Nuclear Quantum Effects for NMR Crystallography
Edgar A Engel, Venkat Kapil, Michele Ceriotti
Journal of Computational Chemistry
|
April 10, 2016
Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics
Shalini Awasthi, Venkat Kapil, Nisanth N Nair
The Journal of Chemical Physics
|
October 1, 2024
Accurate nuclear quantum statistics on machine-learned classical effective potentials
Iryna Zaporozhets, Félix Musil, Venkat Kapil, et al.
Journal of Chemical Theory and Computation
|
September 19, 2019
Assessment of Approximate Methods for Anharmonic Free Energies
Venkat Kapil, Edgar Engel, Mariana Rossi, et al.
The Journal of Chemical Physics
|
November 24, 2025
Vibrational spectra of materials and molecules from partially adiabatic elevated-temperature centroid molecular dynamics
Jorge Castro, George Trenins, Venkat Kapil, et al.
Page
of 6
Search research articles
Search
Showing results (1-10 of 51) with videos related to
Sort By:
Page
of 6
The Journal of Chemical Physics
|
February 2, 2026
Harmonic-to-anharmonic thermodynamic integration made simple using REG TI
Venkat Kapil
Proceedings of the National Academy of Sciences of the United States of America
|
February 8, 2022
A complete description of thermodynamic stabilities of molecular crystals
Venkat Kapil, Edgar A Engel
The Journal of Chemical Physics
|
March 17, 2018
Fine tuning classical and quantum molecular dynamics using a generalized Langevin equation
Mariana Rossi, Venkat Kapil, Michele Ceriotti
The Journal of Physical Chemistry. B
|
May 8, 2018
Anisotropy of the Proton Momentum Distribution in Water
Venkat Kapil, Alice Cuzzocrea, Michele Ceriotti
The Journal of Chemical Physics
|
December 25, 2016
High order path integrals made easy
Venkat Kapil, Jörg Behler, Michele Ceriotti
The Journal of Physical Chemistry Letters
|
August 6, 2021
Importance of Nuclear Quantum Effects for NMR Crystallography
Edgar A Engel, Venkat Kapil, Michele Ceriotti
Journal of Computational Chemistry
|
April 10, 2016
Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics
Shalini Awasthi, Venkat Kapil, Nisanth N Nair
The Journal of Chemical Physics
|
October 1, 2024
Accurate nuclear quantum statistics on machine-learned classical effective potentials
Iryna Zaporozhets, Félix Musil, Venkat Kapil, et al.
Journal of Chemical Theory and Computation
|
September 19, 2019
Assessment of Approximate Methods for Anharmonic Free Energies
Venkat Kapil, Edgar Engel, Mariana Rossi, et al.
The Journal of Chemical Physics
|
November 24, 2025
Vibrational spectra of materials and molecules from partially adiabatic elevated-temperature centroid molecular dynamics
Jorge Castro, George Trenins, Venkat Kapil, et al.
Page
of 6