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Journal of Chemical Theory and Computation
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May 18, 2021
Global Free-Energy Landscapes as a Smoothly Joined Collection of Local Maps
F Giberti, G A Tribello, M Ceriotti
The Journal of Chemical Physics
|
April 22, 2019
Atom-density representations for machine learning
Michael J Willatt, Félix Musil, Michele Ceriotti
The Journal of Chemical Physics
|
February 3, 2020
Classical nucleation theory predicts the shape of the nucleus in homogeneous solidification
Bingqing Cheng, Michele Ceriotti, Gareth A Tribello
The Journal of Chemical Physics
|
July 16, 2008
An efficient and accurate decomposition of the Fermi operator
Michele Ceriotti, Thomas D Kühne, Michele Parrinello
The Journal of Chemical Physics
|
July 26, 2024
Wigner kernels: Body-ordered equivariant machine learning without a basis
Filippo Bigi, Sergey N Pozdnyakov, Michele Ceriotti
Physical Chemistry Chemical Physics : PCCP
|
January 17, 2020
Quantum kinetic energy and isotope fractionation in aqueous ionic solutions
Lu Wang, Michele Ceriotti, Thomas E Markland
Journal of Chemical Theory and Computation
|
February 17, 2016
Probing Defects and Correlations in the Hydrogen-Bond Network of ab Initio Water
Piero Gasparotto, Ali A Hassanali, Michele Ceriotti
The Journal of Chemical Physics
|
September 17, 2017
The Gibbs free energy of homogeneous nucleation: From atomistic nuclei to the planar limit
Bingqing Cheng, Gareth A Tribello, Michele Ceriotti
Crystal Growth & Design
|
November 10, 2025
An Adapted Similarity Kernel and Generalized Convex Hull for Molecular Crystal Structure Prediction
Jennie Martin, Michele Ceriotti, Graeme M Day
The Journal of Chemical Physics
|
May 17, 2018
Fast-forward Langevin dynamics with momentum flips
Mahdi Hijazi, David M Wilkins, Michele Ceriotti
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of 64
Search research articles
Search
Showing results (101-110 of 639) with videos related to
Sort By:
Page
of 64
Journal of Chemical Theory and Computation
|
May 18, 2021
Global Free-Energy Landscapes as a Smoothly Joined Collection of Local Maps
F Giberti, G A Tribello, M Ceriotti
The Journal of Chemical Physics
|
April 22, 2019
Atom-density representations for machine learning
Michael J Willatt, Félix Musil, Michele Ceriotti
The Journal of Chemical Physics
|
February 3, 2020
Classical nucleation theory predicts the shape of the nucleus in homogeneous solidification
Bingqing Cheng, Michele Ceriotti, Gareth A Tribello
The Journal of Chemical Physics
|
July 16, 2008
An efficient and accurate decomposition of the Fermi operator
Michele Ceriotti, Thomas D Kühne, Michele Parrinello
The Journal of Chemical Physics
|
July 26, 2024
Wigner kernels: Body-ordered equivariant machine learning without a basis
Filippo Bigi, Sergey N Pozdnyakov, Michele Ceriotti
Physical Chemistry Chemical Physics : PCCP
|
January 17, 2020
Quantum kinetic energy and isotope fractionation in aqueous ionic solutions
Lu Wang, Michele Ceriotti, Thomas E Markland
Journal of Chemical Theory and Computation
|
February 17, 2016
Probing Defects and Correlations in the Hydrogen-Bond Network of ab Initio Water
Piero Gasparotto, Ali A Hassanali, Michele Ceriotti
The Journal of Chemical Physics
|
September 17, 2017
The Gibbs free energy of homogeneous nucleation: From atomistic nuclei to the planar limit
Bingqing Cheng, Gareth A Tribello, Michele Ceriotti
Crystal Growth & Design
|
November 10, 2025
An Adapted Similarity Kernel and Generalized Convex Hull for Molecular Crystal Structure Prediction
Jennie Martin, Michele Ceriotti, Graeme M Day
The Journal of Chemical Physics
|
May 17, 2018
Fast-forward Langevin dynamics with momentum flips
Mahdi Hijazi, David M Wilkins, Michele Ceriotti
Page
of 64