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The Journal of Chemical Physics
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April 3, 2021
High-level coupled-cluster energetics by Monte Carlo sampling and moment expansions: Further details and comparisons
J Emiliano Deustua, Jun Shen, Piotr Piecuch
Physical Review Letters
|
December 30, 2017
Converging High-Level Coupled-Cluster Energetics by Monte Carlo Sampling and Moment Expansions
J Emiliano Deustua, Jun Shen, Piotr Piecuch
The Journal of Chemical Physics
|
October 22, 2018
Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions
J Emiliano Deustua, Ilias Magoulas, Jun Shen, et al.
The Journal of Chemical Physics
|
November 7, 2021
High-level coupled-cluster energetics by merging moment expansions with selected configuration interaction
Karthik Gururangan, J Emiliano Deustua, Jun Shen, et al.
The Journal of Chemical Physics
|
March 24, 2019
Accurate excited-state energetics by a combination of Monte Carlo sampling and equation-of-motion coupled-cluster computations
J Emiliano Deustua, Stephen H Yuwono, Jun Shen, et al.
Journal of Chemical Theory and Computation
|
June 23, 2021
Is Externally Corrected Coupled Cluster Always Better Than the Underlying Truncated Configuration Interaction?
Ilias Magoulas, Karthik Gururangan, Piotr Piecuch, et al.
The Journal of Chemical Physics
|
October 8, 2022
Benchmarking the semi-stochastic CC(P;Q) approach for singlet-triplet gaps in biradicals
Arnab Chakraborty, Stephen H Yuwono, J Emiliano Deustua, et al.
The Journal of Chemical Physics
|
October 22, 2022
Molecular-orbital-based machine learning for open-shell and multi-reference systems with kernel addition Gaussian process regression
Lixue Cheng, Jiace Sun, J Emiliano Deustua, et al.
Journal of Chemical Theory and Computation
|
February 5, 2025
Periodic GFN1-xTB Tight Binding: A Generalized Ewald Partitioning Scheme for the Klopman-Ohno Function
Alexander Buccheri, Rui Li, J Emiliano Deustua, et al.
The Journal of Physical Chemistry. A
|
June 17, 2022
Fast Near <i>Ab Initio</i> Potential Energy Surfaces Using Machine Learning
Fenris Lu, Lixue Cheng, Ryan J DiRisio, et al.
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Search research articles
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Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
April 3, 2021
High-level coupled-cluster energetics by Monte Carlo sampling and moment expansions: Further details and comparisons
J Emiliano Deustua, Jun Shen, Piotr Piecuch
Physical Review Letters
|
December 30, 2017
Converging High-Level Coupled-Cluster Energetics by Monte Carlo Sampling and Moment Expansions
J Emiliano Deustua, Jun Shen, Piotr Piecuch
The Journal of Chemical Physics
|
October 22, 2018
Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions
J Emiliano Deustua, Ilias Magoulas, Jun Shen, et al.
The Journal of Chemical Physics
|
November 7, 2021
High-level coupled-cluster energetics by merging moment expansions with selected configuration interaction
Karthik Gururangan, J Emiliano Deustua, Jun Shen, et al.
The Journal of Chemical Physics
|
March 24, 2019
Accurate excited-state energetics by a combination of Monte Carlo sampling and equation-of-motion coupled-cluster computations
J Emiliano Deustua, Stephen H Yuwono, Jun Shen, et al.
Journal of Chemical Theory and Computation
|
June 23, 2021
Is Externally Corrected Coupled Cluster Always Better Than the Underlying Truncated Configuration Interaction?
Ilias Magoulas, Karthik Gururangan, Piotr Piecuch, et al.
The Journal of Chemical Physics
|
October 8, 2022
Benchmarking the semi-stochastic CC(P;Q) approach for singlet-triplet gaps in biradicals
Arnab Chakraborty, Stephen H Yuwono, J Emiliano Deustua, et al.
The Journal of Chemical Physics
|
October 22, 2022
Molecular-orbital-based machine learning for open-shell and multi-reference systems with kernel addition Gaussian process regression
Lixue Cheng, Jiace Sun, J Emiliano Deustua, et al.
Journal of Chemical Theory and Computation
|
February 5, 2025
Periodic GFN1-xTB Tight Binding: A Generalized Ewald Partitioning Scheme for the Klopman-Ohno Function
Alexander Buccheri, Rui Li, J Emiliano Deustua, et al.
The Journal of Physical Chemistry. A
|
June 17, 2022
Fast Near <i>Ab Initio</i> Potential Energy Surfaces Using Machine Learning
Fenris Lu, Lixue Cheng, Ryan J DiRisio, et al.
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