Search research articles
Contact Us
Filters
Showing results (11-20 of 38) with videos related to
Page
of 4
Sort By:
Journal of Chemical Theory and Computation
|
May 9, 2017
Chemical Transformations Approaching Chemical Accuracy via Correlated Sampling in Auxiliary-Field Quantum Monte Carlo
James Shee, Shiwei Zhang, David R Reichman, et al.
The Journal of Chemical Physics
|
July 9, 2021
Revealing the nature of electron correlation in transition metal complexes with symmetry breaking and chemical intuition
James Shee, Matthias Loipersberger, Diptarka Hait, et al.
The Journal of Physical Chemistry Letters
|
December 15, 2021
Regularized Second-Order Møller-Plesset Theory: A More Accurate Alternative to Conventional MP2 for Noncovalent Interactions and Transition Metal Thermochemistry for the Same Computational Cost
James Shee, Matthias Loipersberger, Adam Rettig, et al.
Journal of Chemical Theory and Computation
|
November 3, 2025
Enhancing the Accuracy and Efficiency of Sample-Based Quantum Diagonalization with Phaseless Auxiliary-Field Quantum Monte Carlo
Don Danilov, Javier Robledo-Moreno, Kevin J Sung, et al.
Chemical Science
|
October 20, 2023
Bridging physical intuition and hardware efficiency for correlated electronic states: the local unitary cluster Jastrow ansatz for electronic structure
Mario Motta, Kevin J Sung, K Birgitta Whaley, et al.
Journal of Chemical Theory and Computation
|
June 14, 2018
Phaseless Auxiliary-Field Quantum Monte Carlo on Graphical Processing Units
James Shee, Evan J Arthur, Shiwei Zhang, et al.
Journal of Chemical Theory and Computation
|
August 6, 2019
Singlet-Triplet Energy Gaps of Organic Biradicals and Polyacenes with Auxiliary-Field Quantum Monte Carlo
James Shee, Evan J Arthur, Shiwei Zhang, et al.
The Journal of Chemical Physics
|
April 15, 2023
On the potentially transformative role of auxiliary-field quantum Monte Carlo in quantum chemistry: A highly accurate method for transition metals and beyond
James Shee, John L Weber, David R Reichman, et al.
The Journal of Physical Chemistry. A
|
August 11, 2025
Disentangling the Noncovalent Interactions That Drive Coinage Metal Cluster Dimerization
Devesh Awasthi, Marvin Friede, Manasseh Kusi Osei, et al.
The Journal of Physical Chemistry Letters
|
October 10, 2018
Accurate Predictions of Electron Binding Energies of Dipole-Bound Anions via Quantum Monte Carlo Methods
Hongxia Hao, James Shee, Shiv Upadhyay, et al.
Page
of 4
Search research articles
Search
Showing results (11-20 of 38) with videos related to
Sort By:
Page
of 4
Journal of Chemical Theory and Computation
|
May 9, 2017
Chemical Transformations Approaching Chemical Accuracy via Correlated Sampling in Auxiliary-Field Quantum Monte Carlo
James Shee, Shiwei Zhang, David R Reichman, et al.
The Journal of Chemical Physics
|
July 9, 2021
Revealing the nature of electron correlation in transition metal complexes with symmetry breaking and chemical intuition
James Shee, Matthias Loipersberger, Diptarka Hait, et al.
The Journal of Physical Chemistry Letters
|
December 15, 2021
Regularized Second-Order Møller-Plesset Theory: A More Accurate Alternative to Conventional MP2 for Noncovalent Interactions and Transition Metal Thermochemistry for the Same Computational Cost
James Shee, Matthias Loipersberger, Adam Rettig, et al.
Journal of Chemical Theory and Computation
|
November 3, 2025
Enhancing the Accuracy and Efficiency of Sample-Based Quantum Diagonalization with Phaseless Auxiliary-Field Quantum Monte Carlo
Don Danilov, Javier Robledo-Moreno, Kevin J Sung, et al.
Chemical Science
|
October 20, 2023
Bridging physical intuition and hardware efficiency for correlated electronic states: the local unitary cluster Jastrow ansatz for electronic structure
Mario Motta, Kevin J Sung, K Birgitta Whaley, et al.
Journal of Chemical Theory and Computation
|
June 14, 2018
Phaseless Auxiliary-Field Quantum Monte Carlo on Graphical Processing Units
James Shee, Evan J Arthur, Shiwei Zhang, et al.
Journal of Chemical Theory and Computation
|
August 6, 2019
Singlet-Triplet Energy Gaps of Organic Biradicals and Polyacenes with Auxiliary-Field Quantum Monte Carlo
James Shee, Evan J Arthur, Shiwei Zhang, et al.
The Journal of Chemical Physics
|
April 15, 2023
On the potentially transformative role of auxiliary-field quantum Monte Carlo in quantum chemistry: A highly accurate method for transition metals and beyond
James Shee, John L Weber, David R Reichman, et al.
The Journal of Physical Chemistry. A
|
August 11, 2025
Disentangling the Noncovalent Interactions That Drive Coinage Metal Cluster Dimerization
Devesh Awasthi, Marvin Friede, Manasseh Kusi Osei, et al.
The Journal of Physical Chemistry Letters
|
October 10, 2018
Accurate Predictions of Electron Binding Energies of Dipole-Bound Anions via Quantum Monte Carlo Methods
Hongxia Hao, James Shee, Shiv Upadhyay, et al.
Page
of 4