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The Journal of Chemical Physics
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July 17, 2015
Density matrix embedding in an antisymmetrized geminal power bath
Takashi Tsuchimochi, Matthew Welborn, Troy Van Voorhis
Journal of Chemical Theory and Computation
|
July 25, 2018
Transferability in Machine Learning for Electronic Structure via the Molecular Orbital Basis
Matthew Welborn, Lixue Cheng, Thomas F Miller
The Journal of Chemical Physics
|
August 22, 2016
Bootstrap embedding: An internally consistent fragment-based method
Matthew Welborn, Takashi Tsuchimochi, Troy Van Voorhis
The Journal of Chemical Physics
|
October 15, 2018
Even-handed subsystem selection in projection-based embedding
Matthew Welborn, Frederick R Manby, Thomas F Miller
The Journal of Chemical Physics
|
July 12, 2012
Database of atomistic reaction mechanisms with application to kinetic Monte Carlo
Rye Terrell, Matthew Welborn, Samuel T Chill, et al.
Journal of Chemical Theory and Computation
|
October 23, 2019
Regression Clustering for Improved Accuracy and Training Costs with Molecular-Orbital-Based Machine Learning
Lixue Cheng, Nikola B Kovachki, Matthew Welborn, et al.
Journal of Computational Chemistry
|
March 14, 2015
Why many semiempirical molecular orbital theories fail for liquid water and how to fix them
Matthew Welborn, Jiahao Chen, Lee-Ping Wang, et al.
The Journal of Chemical Physics
|
April 8, 2019
A universal density matrix functional from molecular orbital-based machine learning: Transferability across organic molecules
Lixue Cheng, Matthew Welborn, Anders S Christensen, et al.
The Journal of Chemical Physics
|
July 13, 2011
A combined density functional and x-ray diffraction study of Pt nanoparticle structure
Matthew Welborn, Wenjie Tang, Jihoon Ryu, et al.
The Journal of Chemical Physics
|
December 10, 2017
σ-SCF: A direct energy-targeting method to mean-field excited states
Hong-Zhou Ye, Matthew Welborn, Nathan D Ricke, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 27) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
July 17, 2015
Density matrix embedding in an antisymmetrized geminal power bath
Takashi Tsuchimochi, Matthew Welborn, Troy Van Voorhis
Journal of Chemical Theory and Computation
|
July 25, 2018
Transferability in Machine Learning for Electronic Structure via the Molecular Orbital Basis
Matthew Welborn, Lixue Cheng, Thomas F Miller
The Journal of Chemical Physics
|
August 22, 2016
Bootstrap embedding: An internally consistent fragment-based method
Matthew Welborn, Takashi Tsuchimochi, Troy Van Voorhis
The Journal of Chemical Physics
|
October 15, 2018
Even-handed subsystem selection in projection-based embedding
Matthew Welborn, Frederick R Manby, Thomas F Miller
The Journal of Chemical Physics
|
July 12, 2012
Database of atomistic reaction mechanisms with application to kinetic Monte Carlo
Rye Terrell, Matthew Welborn, Samuel T Chill, et al.
Journal of Chemical Theory and Computation
|
October 23, 2019
Regression Clustering for Improved Accuracy and Training Costs with Molecular-Orbital-Based Machine Learning
Lixue Cheng, Nikola B Kovachki, Matthew Welborn, et al.
Journal of Computational Chemistry
|
March 14, 2015
Why many semiempirical molecular orbital theories fail for liquid water and how to fix them
Matthew Welborn, Jiahao Chen, Lee-Ping Wang, et al.
The Journal of Chemical Physics
|
April 8, 2019
A universal density matrix functional from molecular orbital-based machine learning: Transferability across organic molecules
Lixue Cheng, Matthew Welborn, Anders S Christensen, et al.
The Journal of Chemical Physics
|
July 13, 2011
A combined density functional and x-ray diffraction study of Pt nanoparticle structure
Matthew Welborn, Wenjie Tang, Jihoon Ryu, et al.
The Journal of Chemical Physics
|
December 10, 2017
σ-SCF: A direct energy-targeting method to mean-field excited states
Hong-Zhou Ye, Matthew Welborn, Nathan D Ricke, et al.
Page
of 3