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Journal of Chemical Theory and Computation
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March 19, 2019
On Achieving High Accuracy in Quantum Chemical Calculations of 3 d Transition Metal-Containing Systems: A Comparison of Auxiliary-Field Quantum Monte Carlo with Coupled Cluster, Density Functional Theory, and Experiment for Diatomic Molecules
James Shee, Benjamin Rudshteyn, Evan J Arthur, et al.
Journal of Chemical Theory and Computation
|
August 30, 2022
Time-Dependent Second-Order Green's Function Theory for Neutral Excitations
Wenjie Dou, Joonho Lee, Jian Zhu, et al.
Nature Structural & Molecular Biology
|
December 25, 2012
The promoter-search mechanism of Escherichia coli RNA polymerase is dominated by three-dimensional diffusion
Feng Wang, Sy Redding, Ilya J Finkelstein, et al.
Nature
|
March 17, 2022
Unbiasing fermionic quantum Monte Carlo with a quantum computer
William J Huggins, Bryan A O'Gorman, Nicholas C Rubin, et al.
Journal of Chemical Theory and Computation
|
February 5, 2025
Beyond CCSD(T) Accuracy at Lower Scaling with Auxiliary Field Quantum Monte Carlo
Ankit Mahajan, James H Thorpe, Jo S Kurian, et al.
Journal of Chemical Theory and Computation
|
March 3, 2026
Evaluating Multiconfigurational Trials for Accurate Phaseless Auxiliary-Field Quantum Monte Carlo on 3d Transition Metal Complexes
Hung T Vuong, Ankit Mahajan, John L Weber, et al.
Nature Communications
|
July 15, 2023
Finding defects in glasses through machine learning
Simone Ciarella, Dmytro Khomenko, Ludovic Berthier, et al.
The Journal of Chemical Physics
|
January 7, 2023
Microscopic observation of two-level systems in a metallic glass model
Felix C Mocanu, Ludovic Berthier, Simone Ciarella, et al.
The Journal of Chemical Physics
|
February 25, 2012
Theory and simulations of quantum glass forming liquids
Thomas E Markland, Joseph A Morrone, Kunimasa Miyazaki, et al.
The Journal of Chemical Physics
|
September 9, 2024
Benchmarking the exponential ansatz for the Holstein model
Junjie Yang, Zhi-Hao Cui, Ankit Mahajan, et al.
Page
of 16
Search research articles
Search
Showing results (101-110 of 156) with videos related to
Sort By:
Page
of 16
Journal of Chemical Theory and Computation
|
March 19, 2019
On Achieving High Accuracy in Quantum Chemical Calculations of 3 d Transition Metal-Containing Systems: A Comparison of Auxiliary-Field Quantum Monte Carlo with Coupled Cluster, Density Functional Theory, and Experiment for Diatomic Molecules
James Shee, Benjamin Rudshteyn, Evan J Arthur, et al.
Journal of Chemical Theory and Computation
|
August 30, 2022
Time-Dependent Second-Order Green's Function Theory for Neutral Excitations
Wenjie Dou, Joonho Lee, Jian Zhu, et al.
Nature Structural & Molecular Biology
|
December 25, 2012
The promoter-search mechanism of Escherichia coli RNA polymerase is dominated by three-dimensional diffusion
Feng Wang, Sy Redding, Ilya J Finkelstein, et al.
Nature
|
March 17, 2022
Unbiasing fermionic quantum Monte Carlo with a quantum computer
William J Huggins, Bryan A O'Gorman, Nicholas C Rubin, et al.
Journal of Chemical Theory and Computation
|
February 5, 2025
Beyond CCSD(T) Accuracy at Lower Scaling with Auxiliary Field Quantum Monte Carlo
Ankit Mahajan, James H Thorpe, Jo S Kurian, et al.
Journal of Chemical Theory and Computation
|
March 3, 2026
Evaluating Multiconfigurational Trials for Accurate Phaseless Auxiliary-Field Quantum Monte Carlo on 3d Transition Metal Complexes
Hung T Vuong, Ankit Mahajan, John L Weber, et al.
Nature Communications
|
July 15, 2023
Finding defects in glasses through machine learning
Simone Ciarella, Dmytro Khomenko, Ludovic Berthier, et al.
The Journal of Chemical Physics
|
January 7, 2023
Microscopic observation of two-level systems in a metallic glass model
Felix C Mocanu, Ludovic Berthier, Simone Ciarella, et al.
The Journal of Chemical Physics
|
February 25, 2012
Theory and simulations of quantum glass forming liquids
Thomas E Markland, Joseph A Morrone, Kunimasa Miyazaki, et al.
The Journal of Chemical Physics
|
September 9, 2024
Benchmarking the exponential ansatz for the Holstein model
Junjie Yang, Zhi-Hao Cui, Ankit Mahajan, et al.
Page
of 16