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Taylor A Barnes

Showing results (1-10 of 8) with videos related to

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The Journal of Chemical Physics|May 3, 2011
Embedded density functional theory for covalently bonded and strongly interacting subsystemsJason D Goodpaster, Taylor A Barnes, Thomas F Miller
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|July 19, 2013
Accurate basis set truncation for wavefunction embeddingTaylor A Barnes, Jason D Goodpaster, Frederick R Manby, et al.
Physical Chemistry Chemical Physics : PCCP|September 21, 2018
Hybrid DFT investigation of the energetics of Mg ion diffusion in α-MoO<sub>3</sub>Taylor A Barnes, Liwen F Wan, Paul R C Kent, 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.
Journal of Cardiac Surgery|March 12, 2020
The impact of intravenous opioid shortages on postoperative pain control in a pediatric cardiac intensive care unitTaylor A Barnes, Han X Feng, Nicole A Herrera, et al.
The Journal of Chemical Physics|August 22, 2024
LibERI-A portable and performant multi-GPU accelerated library for electron repulsion integrals via OpenMP offloading and standard language parallelismMelisa Alkan, Buu Q Pham, Daniel Del Angel Cruz, et al.
The Journal of Chemical Physics|December 2, 2021
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programsDaniel G A Smith, Annabelle T Lolinco, Zachary L Glick, et al.
Pageof 1

Showing results (1-10 of 8) with videos related to

Sort By:
Pageof 1
The Journal of Chemical Physics|May 3, 2011
Embedded density functional theory for covalently bonded and strongly interacting subsystemsJason D Goodpaster, Taylor A Barnes, Thomas F Miller
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|July 19, 2013
Accurate basis set truncation for wavefunction embeddingTaylor A Barnes, Jason D Goodpaster, Frederick R Manby, et al.
Physical Chemistry Chemical Physics : PCCP|September 21, 2018
Hybrid DFT investigation of the energetics of Mg ion diffusion in α-MoO<sub>3</sub>Taylor A Barnes, Liwen F Wan, Paul R C Kent, 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.
Journal of Cardiac Surgery|March 12, 2020
The impact of intravenous opioid shortages on postoperative pain control in a pediatric cardiac intensive care unitTaylor A Barnes, Han X Feng, Nicole A Herrera, et al.
The Journal of Chemical Physics|August 22, 2024
LibERI-A portable and performant multi-GPU accelerated library for electron repulsion integrals via OpenMP offloading and standard language parallelismMelisa Alkan, Buu Q Pham, Daniel Del Angel Cruz, et al.
The Journal of Chemical Physics|December 2, 2021
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programsDaniel G A Smith, Annabelle T Lolinco, Zachary L Glick, et al.
Pageof 1