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List of works by Venkat Kapil

A complete description of thermodynamic stabilities of molecular crystals

scientific article published on 07 February 2022

Accurate Description of Nuclear Quantum Effects with High-Order Perturbed Path Integrals (HOPPI)

scientific article published on 22 January 2020

Assessment of Approximate Methods for Anharmonic Free Energies

scientific article published on 08 October 2019

Barely porous organic cages for hydrogen isotope separation

scientific article published on 01 November 2019

Efficient Quantum Vibrational Spectroscopy of Water with High-Order Path Integrals: From Bulk to Interfaces

scientific article published in 2021

Fine tuning classical and quantum molecular dynamics using a generalized Langevin equation.

scientific article published in March 2018

Inexpensive modeling of quantum dynamics using path integral generalized Langevin equation thermostats

scientific article published on 01 March 2020

Modeling the Structural and Thermal Properties of Loaded Metal-Organic Frameworks. An Interplay of Quantum and Anharmonic Fluctuations

scientific article published on 30 April 2019

The first-principles phase diagram of monolayer nanoconfined water

scientific article published in 2022

Thermal Engineering of Metal-Organic Frameworks for Adsorption Applications: A Molecular Simulation Perspective

scientific article published on 09 October 2019

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