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Journal of Chemical Theory and Computation
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February 21, 2017
Gaussian-Based Coupled-Cluster Theory for the Ground-State and Band Structure of Solids
James McClain, Qiming Sun, Garnet Kin-Lic Chan, et al.
The Journal of Chemical Physics
|
November 4, 2017
Gaussian and plane-wave mixed density fitting for periodic systems
Qiming Sun, Timothy C Berkelbach, James D McClain, et al.
Journal of Chemical Theory and Computation
|
December 19, 2023
Toward Linear Scaling Auxiliary-Field Quantum Monte Carlo with Local Natural Orbitals
Jo S Kurian, Hong-Zhou Ye, Ankit Mahajan, et al.
Nano Letters
|
September 24, 2019
Large Band Edge Tunability in Colloidal Nanoplatelets
Qunfei Zhou, Yeongsu Cho, Shenyuan Yang, et al.
The Journal of Chemical Physics
|
July 1, 2024
Performant automatic differentiation of local coupled cluster theories: Response properties and ab initio molecular dynamics
Xing Zhang, Chenghan Li, Hong-Zhou Ye, et al.
Journal of Chemical Theory and Computation
|
March 5, 2025
Efficient Implementation of the Random Phase Approximation with Domain-Based Local Pair Natural Orbitals
Yu Hsuan Liang, Xing Zhang, Garnet Kin-Lic Chan, et al.
Journal of Chemical Theory and Computation
|
November 8, 2022
Full Configuration Interaction Excited-State Energies in Large Active Spaces from Subspace Iteration with Repeated Random Sparsification
Samuel M Greene, Robert J Webber, James E T Smith, et al.
Journal of the American Chemical Society
|
July 9, 2014
Length-dependent conductance of oligothiophenes
Brian Capozzi, Emma J Dell, Timothy C Berkelbach, et al.
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
March 5, 2009
Modeling energy dependence of the inner-shell x-ray emission produced by femtosecond-pulse laser irradiation of xenon clusters
Timothy C Berkelbach, James Colgan, Joseph Abdallah, et al.
Journal of Chemical Theory and Computation
|
February 2, 2023
Data-Efficient Machine Learning Potentials from Transfer Learning of Periodic Correlated Electronic Structure Methods: Liquid Water at AFQMC, CCSD, and CCSD(T) Accuracy
Michael S Chen, Joonho Lee, Hong-Zhou Ye, et al.
Page
of 9
Search research articles
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Showing results (51-60 of 85) with videos related to
Sort By:
Page
of 9
Journal of Chemical Theory and Computation
|
February 21, 2017
Gaussian-Based Coupled-Cluster Theory for the Ground-State and Band Structure of Solids
James McClain, Qiming Sun, Garnet Kin-Lic Chan, et al.
The Journal of Chemical Physics
|
November 4, 2017
Gaussian and plane-wave mixed density fitting for periodic systems
Qiming Sun, Timothy C Berkelbach, James D McClain, et al.
Journal of Chemical Theory and Computation
|
December 19, 2023
Toward Linear Scaling Auxiliary-Field Quantum Monte Carlo with Local Natural Orbitals
Jo S Kurian, Hong-Zhou Ye, Ankit Mahajan, et al.
Nano Letters
|
September 24, 2019
Large Band Edge Tunability in Colloidal Nanoplatelets
Qunfei Zhou, Yeongsu Cho, Shenyuan Yang, et al.
The Journal of Chemical Physics
|
July 1, 2024
Performant automatic differentiation of local coupled cluster theories: Response properties and ab initio molecular dynamics
Xing Zhang, Chenghan Li, Hong-Zhou Ye, et al.
Journal of Chemical Theory and Computation
|
March 5, 2025
Efficient Implementation of the Random Phase Approximation with Domain-Based Local Pair Natural Orbitals
Yu Hsuan Liang, Xing Zhang, Garnet Kin-Lic Chan, et al.
Journal of Chemical Theory and Computation
|
November 8, 2022
Full Configuration Interaction Excited-State Energies in Large Active Spaces from Subspace Iteration with Repeated Random Sparsification
Samuel M Greene, Robert J Webber, James E T Smith, et al.
Journal of the American Chemical Society
|
July 9, 2014
Length-dependent conductance of oligothiophenes
Brian Capozzi, Emma J Dell, Timothy C Berkelbach, et al.
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
March 5, 2009
Modeling energy dependence of the inner-shell x-ray emission produced by femtosecond-pulse laser irradiation of xenon clusters
Timothy C Berkelbach, James Colgan, Joseph Abdallah, et al.
Journal of Chemical Theory and Computation
|
February 2, 2023
Data-Efficient Machine Learning Potentials from Transfer Learning of Periodic Correlated Electronic Structure Methods: Liquid Water at AFQMC, CCSD, and CCSD(T) Accuracy
Michael S Chen, Joonho Lee, Hong-Zhou Ye, et al.
Page
of 9