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Journal of Chemical Theory and Computation
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January 27, 2016
Kinetic Energy of Hydrocarbons as a Function of Electron Density and Convolutional Neural Networks
Kun Yao, John Parkhill
The Journal of Physical Chemistry. A
|
August 16, 2016
Nonradiative Relaxation in Real-Time Electronic Dynamics OSCF2: Organolead Triiodide Perovskite
Triet S Nguyen, John Parkhill
Journal of Chemical Theory and Computation
|
November 18, 2015
Nonadiabatic Dynamics for Electrons at Second-Order: Real-Time TDDFT and OSCF2
Triet S Nguyen, John Parkhill
The Journal of Chemical Physics
|
January 9, 2017
The many-body expansion combined with neural networks
Kun Yao, John E Herr, John Parkhill
The Journal of Chemical Physics
|
April 10, 2015
How electronic dynamics with Pauli exclusion produces Fermi-Dirac statistics
Triet S Nguyen, Ravindra Nanguneri, John Parkhill
The Journal of Chemical Physics
|
October 27, 2016
Cost-effective description of strong correlation: Efficient implementations of the perfect quadruples and perfect hextuples models
Susi Lehtola, John Parkhill, Martin Head-Gordon
Frontiers in Chemistry
|
May 3, 2014
Force-field functor theory: classical force-fields which reproduce equilibrium quantum distributions
Ryan Babbush, John Parkhill, Alán Aspuru-Guzik
The Journal of Chemical Physics
|
September 1, 2019
Compressing physics with an autoencoder: Creating an atomic species representation to improve machine learning models in the chemical sciences
John E Herr, Kevin Koh, Kun Yao, et al.
Journal of Chemical Theory and Computation
|
July 21, 2017
Accelerating Realtime TDDFT with Block-Orthogonalized Manby-Miller Embedding Theory
Kevin J Koh, Triet S Nguyen-Beck, John Parkhill
The Journal of Physical Chemistry Letters
|
April 12, 2016
Black-Box, Real-Time Simulations of Transient Absorption Spectroscopy
Triet S Nguyen, Joong Hoon Koh, Susan Lefelhocz, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
January 27, 2016
Kinetic Energy of Hydrocarbons as a Function of Electron Density and Convolutional Neural Networks
Kun Yao, John Parkhill
The Journal of Physical Chemistry. A
|
August 16, 2016
Nonradiative Relaxation in Real-Time Electronic Dynamics OSCF2: Organolead Triiodide Perovskite
Triet S Nguyen, John Parkhill
Journal of Chemical Theory and Computation
|
November 18, 2015
Nonadiabatic Dynamics for Electrons at Second-Order: Real-Time TDDFT and OSCF2
Triet S Nguyen, John Parkhill
The Journal of Chemical Physics
|
January 9, 2017
The many-body expansion combined with neural networks
Kun Yao, John E Herr, John Parkhill
The Journal of Chemical Physics
|
April 10, 2015
How electronic dynamics with Pauli exclusion produces Fermi-Dirac statistics
Triet S Nguyen, Ravindra Nanguneri, John Parkhill
The Journal of Chemical Physics
|
October 27, 2016
Cost-effective description of strong correlation: Efficient implementations of the perfect quadruples and perfect hextuples models
Susi Lehtola, John Parkhill, Martin Head-Gordon
Frontiers in Chemistry
|
May 3, 2014
Force-field functor theory: classical force-fields which reproduce equilibrium quantum distributions
Ryan Babbush, John Parkhill, Alán Aspuru-Guzik
The Journal of Chemical Physics
|
September 1, 2019
Compressing physics with an autoencoder: Creating an atomic species representation to improve machine learning models in the chemical sciences
John E Herr, Kevin Koh, Kun Yao, et al.
Journal of Chemical Theory and Computation
|
July 21, 2017
Accelerating Realtime TDDFT with Block-Orthogonalized Manby-Miller Embedding Theory
Kevin J Koh, Triet S Nguyen-Beck, John Parkhill
The Journal of Physical Chemistry Letters
|
April 12, 2016
Black-Box, Real-Time Simulations of Transient Absorption Spectroscopy
Triet S Nguyen, Joong Hoon Koh, Susan Lefelhocz, et al.
Page
of 2