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The Journal of Chemical Physics
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April 17, 2008
Orbital optimization in the density matrix renormalization group, with applications to polyenes and beta-carotene
Debashree Ghosh, Johannes Hachmann, Takeshi Yanai, et al.
The Journal of Chemical Physics
|
January 26, 2010
Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory
Takeshi Yanai, Yuki Kurashige, Eric Neuscamman, et al.
Journal of Chemical Theory and Computation
|
May 16, 2019
Efficient Ab Initio Auxiliary-Field Quantum Monte Carlo Calculations in Gaussian Bases via Low-Rank Tensor Decomposition
Mario Motta, James Shee, Shiwei Zhang, et al.
The Journal of Physical Chemistry. A
|
January 23, 2025
Introducing GPU Acceleration into the Python-Based Simulations of Chemistry Framework
Rui Li, Qiming Sun, Xing Zhang, et al.
The Journal of Chemical Physics
|
May 27, 2009
A study of cumulant approximations to n-electron valence multireference perturbation theory
Dominika Zgid, Debashree Ghosh, Eric Neuscamman, et al.
The Journal of Chemical Physics
|
April 8, 2023
Multi-site reaction dynamics through multi-fragment density matrix embedding
Chenghan Li, Junjie Yang, Xing Zhang, et al.
The Journal of Chemical Physics
|
January 3, 2020
Exact parameterization of fermionic wave functions via unitary coupled cluster theory
Francesco A Evangelista, Garnet Kin-Lic Chan, Gustavo E Scuseria
The Journal of Chemical Physics
|
July 7, 2025
Quantum many-body linear algebra, Hamiltonian moments, and a coupled-cluster inspired framework
Yuhang Ai, Huanchen Zhai, Johannes Tölle, et al.
Nature Chemistry
|
September 23, 2014
Low-energy spectrum of iron-sulfur clusters directly from many-particle quantum mechanics
Sandeep Sharma, Kantharuban Sivalingam, Frank Neese, et al.
Chemical Reviews
|
October 22, 2020
Quantum Algorithms for Quantum Chemistry and Quantum Materials Science
Bela Bauer, Sergey Bravyi, Mario Motta, et al.
Page
of 14
Search research articles
Search
Showing results (71-80 of 137) with videos related to
Sort By:
Page
of 14
The Journal of Chemical Physics
|
April 17, 2008
Orbital optimization in the density matrix renormalization group, with applications to polyenes and beta-carotene
Debashree Ghosh, Johannes Hachmann, Takeshi Yanai, et al.
The Journal of Chemical Physics
|
January 26, 2010
Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory
Takeshi Yanai, Yuki Kurashige, Eric Neuscamman, et al.
Journal of Chemical Theory and Computation
|
May 16, 2019
Efficient Ab Initio Auxiliary-Field Quantum Monte Carlo Calculations in Gaussian Bases via Low-Rank Tensor Decomposition
Mario Motta, James Shee, Shiwei Zhang, et al.
The Journal of Physical Chemistry. A
|
January 23, 2025
Introducing GPU Acceleration into the Python-Based Simulations of Chemistry Framework
Rui Li, Qiming Sun, Xing Zhang, et al.
The Journal of Chemical Physics
|
May 27, 2009
A study of cumulant approximations to n-electron valence multireference perturbation theory
Dominika Zgid, Debashree Ghosh, Eric Neuscamman, et al.
The Journal of Chemical Physics
|
April 8, 2023
Multi-site reaction dynamics through multi-fragment density matrix embedding
Chenghan Li, Junjie Yang, Xing Zhang, et al.
The Journal of Chemical Physics
|
January 3, 2020
Exact parameterization of fermionic wave functions via unitary coupled cluster theory
Francesco A Evangelista, Garnet Kin-Lic Chan, Gustavo E Scuseria
The Journal of Chemical Physics
|
July 7, 2025
Quantum many-body linear algebra, Hamiltonian moments, and a coupled-cluster inspired framework
Yuhang Ai, Huanchen Zhai, Johannes Tölle, et al.
Nature Chemistry
|
September 23, 2014
Low-energy spectrum of iron-sulfur clusters directly from many-particle quantum mechanics
Sandeep Sharma, Kantharuban Sivalingam, Frank Neese, et al.
Chemical Reviews
|
October 22, 2020
Quantum Algorithms for Quantum Chemistry and Quantum Materials Science
Bela Bauer, Sergey Bravyi, Mario Motta, et al.
Page
of 14