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David R Glowacki

Showing results (31-40 of 71) with videos related to

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The Journal of Chemical Physics|October 23, 2020
Training atomic neural networks using fragment-based data generated in virtual realitySilvia Amabilino, Lars A Bratholm, Simon J Bennie, et al.
The Journal of Physical Chemistry. A|August 22, 2012
MESMER: an open-source master equation solver for multi-energy well reactionsDavid R Glowacki, Chi-Hsiu Liang, Christopher Morley, et al.
Journal of Chemical Information and Modeling|November 11, 2020
Interactive Molecular Dynamics in Virtual Reality Is an Effective Tool for Flexible Substrate and Inhibitor Docking to the SARS-CoV-2 Main ProteaseHelen M Deeks, Rebecca K Walters, Jonathan Barnoud, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|March 22, 2017
Reaction and relaxation at surface hotspots: using molecular dynamics and the energy-grained master equation to describe diamond etchingDavid R Glowacki, W J Rodgers, Robin Shannon, et al.
Journal of the American Chemical Society|September 14, 2010
Alkene hydroboration: hot intermediates that react while they are coolingDavid R Glowacki, C H Liang, Stephen P Marsden, et al.
Physical Chemistry Chemical Physics : PCCP|January 30, 2009
Classical, quantum and statistical simulations of vibrationally excited HOSO(2): IVR, dissociation, and implications for OH + SO(2) kinetics at high pressuresDavid R Glowacki, Stewart K Reed, Michael J Pilling, et al.
The Journal of Physical Chemistry. A|March 21, 2019
Training Neural Nets To Learn Reactive Potential Energy Surfaces Using Interactive Quantum Chemistry in Virtual RealitySilvia Amabilino, Lars A Bratholm, Simon J Bennie, et al.
Nature Chemistry|October 26, 2011
Ultrafast energy flow in the wake of solution-phase bimolecular reactionsDavid R Glowacki, Rebecca A Rose, Stuart J Greaves, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|July 2, 2014
Recent applications of boxed molecular dynamics: a simple multiscale technique for atomistic simulationsJonathan Booth, Saulo Vazquez, Emilio Martinez-Nunez, et al.
Chemical Science|March 20, 2020
IMPRESSION - prediction of NMR parameters for 3-dimensional chemical structures using machine learning with near quantum chemical accuracyWill Gerrard, Lars A Bratholm, Martin J Packer, et al.
Pageof 8

Showing results (31-40 of 71) with videos related to

Sort By:
Pageof 8
The Journal of Chemical Physics|October 23, 2020
Training atomic neural networks using fragment-based data generated in virtual realitySilvia Amabilino, Lars A Bratholm, Simon J Bennie, et al.
The Journal of Physical Chemistry. A|August 22, 2012
MESMER: an open-source master equation solver for multi-energy well reactionsDavid R Glowacki, Chi-Hsiu Liang, Christopher Morley, et al.
Journal of Chemical Information and Modeling|November 11, 2020
Interactive Molecular Dynamics in Virtual Reality Is an Effective Tool for Flexible Substrate and Inhibitor Docking to the SARS-CoV-2 Main ProteaseHelen M Deeks, Rebecca K Walters, Jonathan Barnoud, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|March 22, 2017
Reaction and relaxation at surface hotspots: using molecular dynamics and the energy-grained master equation to describe diamond etchingDavid R Glowacki, W J Rodgers, Robin Shannon, et al.
Journal of the American Chemical Society|September 14, 2010
Alkene hydroboration: hot intermediates that react while they are coolingDavid R Glowacki, C H Liang, Stephen P Marsden, et al.
Physical Chemistry Chemical Physics : PCCP|January 30, 2009
Classical, quantum and statistical simulations of vibrationally excited HOSO(2): IVR, dissociation, and implications for OH + SO(2) kinetics at high pressuresDavid R Glowacki, Stewart K Reed, Michael J Pilling, et al.
The Journal of Physical Chemistry. A|March 21, 2019
Training Neural Nets To Learn Reactive Potential Energy Surfaces Using Interactive Quantum Chemistry in Virtual RealitySilvia Amabilino, Lars A Bratholm, Simon J Bennie, et al.
Nature Chemistry|October 26, 2011
Ultrafast energy flow in the wake of solution-phase bimolecular reactionsDavid R Glowacki, Rebecca A Rose, Stuart J Greaves, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|July 2, 2014
Recent applications of boxed molecular dynamics: a simple multiscale technique for atomistic simulationsJonathan Booth, Saulo Vazquez, Emilio Martinez-Nunez, et al.
Chemical Science|March 20, 2020
IMPRESSION - prediction of NMR parameters for 3-dimensional chemical structures using machine learning with near quantum chemical accuracyWill Gerrard, Lars A Bratholm, Martin J Packer, et al.
Pageof 8