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Thomas F Miller

Showing results (61-70 of 111) with videos related to

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The Journal of Chemical Physics|December 20, 2012
Density functional theory embedding for correlated wavefunctions: improved methods for open-shell systems and transition metal complexesJason D Goodpaster, Taylor A Barnes, Frederick R Manby, et al.
The Journal of Chemical Physics|December 3, 2016
Non-equilibrium dynamics from RPMD and CMDRalph Welsch, Kai Song, Qiang Shi, et al.
The Journal of Chemical Physics|March 16, 2020
Dimension-free path-integral molecular dynamics without preconditioningRoman Korol, Jorge L Rosa-Raíces, Nawaf Bou-Rabee, et al.
The Journal of Chemical Physics|October 2, 2020
OrbNet: Deep learning for quantum chemistry using symmetry-adapted atomic-orbital featuresZhuoran Qiao, Matthew Welborn, Animashree Anandkumar, et al.
The Journal of Chemical Physics|May 17, 2014
Accurate and systematically improvable density functional theory embedding for correlated wavefunctionsJason D Goodpaster, Taylor A Barnes, Frederick R Manby, et al.
The Journal of Chemical Physics|July 19, 2013
Accurate basis set truncation for wavefunction embeddingTaylor A Barnes, Jason D Goodpaster, Frederick R Manby, et al.
Accounts of Chemical Research|September 26, 2017
Designing Polymer Electrolytes for Safe and High Capacity Rechargeable Lithium BatteriesThomas F Miller, Zhen-Gang Wang, Geoffrey W Coates, et al.
Accounts of Chemical Research|April 11, 2019
Projection-Based Wavefunction-in-DFT EmbeddingSebastian J R Lee, Matthew Welborn, Frederick R Manby, et al.
The Journal of Chemical Physics|October 22, 2022
Molecular-orbital-based machine learning for open-shell and multi-reference systems with kernel addition Gaussian process regressionLixue Cheng, Jiace Sun, J Emiliano Deustua, et al.
The Journal of Chemical Physics|March 3, 2005
Comment on "A centroid molecular dynamics study of liquid para hydrogen and ortho deuterium" [J. Chem. Phys. 121, 6412 (2004)]Thomas F Miller, David E Manolopoulos, Paul A Madden, et al.
Pageof 12

Showing results (61-70 of 111) with videos related to

Sort By:
Pageof 12
The Journal of Chemical Physics|December 20, 2012
Density functional theory embedding for correlated wavefunctions: improved methods for open-shell systems and transition metal complexesJason D Goodpaster, Taylor A Barnes, Frederick R Manby, et al.
The Journal of Chemical Physics|December 3, 2016
Non-equilibrium dynamics from RPMD and CMDRalph Welsch, Kai Song, Qiang Shi, et al.
The Journal of Chemical Physics|March 16, 2020
Dimension-free path-integral molecular dynamics without preconditioningRoman Korol, Jorge L Rosa-Raíces, Nawaf Bou-Rabee, et al.
The Journal of Chemical Physics|October 2, 2020
OrbNet: Deep learning for quantum chemistry using symmetry-adapted atomic-orbital featuresZhuoran Qiao, Matthew Welborn, Animashree Anandkumar, et al.
The Journal of Chemical Physics|May 17, 2014
Accurate and systematically improvable density functional theory embedding for correlated wavefunctionsJason D Goodpaster, Taylor A Barnes, Frederick R Manby, et al.
The Journal of Chemical Physics|July 19, 2013
Accurate basis set truncation for wavefunction embeddingTaylor A Barnes, Jason D Goodpaster, Frederick R Manby, et al.
Accounts of Chemical Research|September 26, 2017
Designing Polymer Electrolytes for Safe and High Capacity Rechargeable Lithium BatteriesThomas F Miller, Zhen-Gang Wang, Geoffrey W Coates, et al.
Accounts of Chemical Research|April 11, 2019
Projection-Based Wavefunction-in-DFT EmbeddingSebastian J R Lee, Matthew Welborn, Frederick R Manby, et al.
The Journal of Chemical Physics|October 22, 2022
Molecular-orbital-based machine learning for open-shell and multi-reference systems with kernel addition Gaussian process regressionLixue Cheng, Jiace Sun, J Emiliano Deustua, et al.
The Journal of Chemical Physics|March 3, 2005
Comment on "A centroid molecular dynamics study of liquid para hydrogen and ortho deuterium" [J. Chem. Phys. 121, 6412 (2004)]Thomas F Miller, David E Manolopoulos, Paul A Madden, et al.
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