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Andrea Zen

Showing results (1-10 of 47) with videos related to

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Biophysical Journal|October 22, 2008
Small- and large-scale conformational changes of adenylate kinase: a molecular dynamics study of the subdomain motion and mechanicsFrancesco Pontiggia, Andrea Zen, Cristian Micheletti
The Journal of Chemical Physics|October 9, 2012
Finite-temperature electronic simulations without the Born-Oppenheimer constraintGuglielmo Mazzola, Andrea Zen, Sandro Sorella
The Journal of Chemical Physics|January 9, 2025
A brief introduction to the diffusion Monte Carlo method and the fixed-node approximationAlfonso Annarelli, Dario Alfè, Andrea Zen
The Journal of Chemical Physics|November 24, 2014
Ab initio molecular dynamics with noisy forces: validating the quantum Monte Carlo approach with benchmark calculations of molecular vibrational propertiesYe Luo, Andrea Zen, Sandro Sorella
Journal of Chemical Theory and Computation|October 5, 2013
Optimized Structure and Vibrational Properties by Error Affected Potential Energy SurfacesAndrea Zen, Delyan Zhelyazov, Leonardo Guidoni
The Journal of Physical Chemistry. A|July 5, 2023
Quantifying the Impact of Halogenation on Intermolecular Interactions and Binding Modes of Aromatic MoleculesRitaj Tyagi, Andrea Zen, Vamsee K Voora
The Journal of Chemical Physics|July 10, 2014
Properties of reactive oxygen species by quantum Monte CarloAndrea Zen, Bernhardt L Trout, Leonardo Guidoni
The Journal of Chemical Physics|August 6, 2022
Beyond GGA total energies for solids and surfacesAndrea Zen, Andreas Grüneis, Dario Alfè, et al.
The Journal of Chemical Physics|November 29, 2023
Unraveling H2 chemisorption and physisorption on metal decorated graphene using quantum Monte CarloYasmine S Al-Hamdani, Andrea Zen, Dario Alfè
Journal of Chemical Theory and Computation|February 15, 2014
Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water MoleculeAndrea Zen, Ye Luo, Sandro Sorella, et al.
Pageof 5

Showing results (1-10 of 47) with videos related to

Sort By:
Pageof 5
Biophysical Journal|October 22, 2008
Small- and large-scale conformational changes of adenylate kinase: a molecular dynamics study of the subdomain motion and mechanicsFrancesco Pontiggia, Andrea Zen, Cristian Micheletti
The Journal of Chemical Physics|October 9, 2012
Finite-temperature electronic simulations without the Born-Oppenheimer constraintGuglielmo Mazzola, Andrea Zen, Sandro Sorella
The Journal of Chemical Physics|January 9, 2025
A brief introduction to the diffusion Monte Carlo method and the fixed-node approximationAlfonso Annarelli, Dario Alfè, Andrea Zen
The Journal of Chemical Physics|November 24, 2014
Ab initio molecular dynamics with noisy forces: validating the quantum Monte Carlo approach with benchmark calculations of molecular vibrational propertiesYe Luo, Andrea Zen, Sandro Sorella
Journal of Chemical Theory and Computation|October 5, 2013
Optimized Structure and Vibrational Properties by Error Affected Potential Energy SurfacesAndrea Zen, Delyan Zhelyazov, Leonardo Guidoni
The Journal of Physical Chemistry. A|July 5, 2023
Quantifying the Impact of Halogenation on Intermolecular Interactions and Binding Modes of Aromatic MoleculesRitaj Tyagi, Andrea Zen, Vamsee K Voora
The Journal of Chemical Physics|July 10, 2014
Properties of reactive oxygen species by quantum Monte CarloAndrea Zen, Bernhardt L Trout, Leonardo Guidoni
The Journal of Chemical Physics|August 6, 2022
Beyond GGA total energies for solids and surfacesAndrea Zen, Andreas Grüneis, Dario Alfè, et al.
The Journal of Chemical Physics|November 29, 2023
Unraveling H2 chemisorption and physisorption on metal decorated graphene using quantum Monte CarloYasmine S Al-Hamdani, Andrea Zen, Dario Alfè
Journal of Chemical Theory and Computation|February 15, 2014
Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water MoleculeAndrea Zen, Ye Luo, Sandro Sorella, et al.
Pageof 5