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Journal of Chemical Theory and Computation
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December 22, 2020
PNO++: Perturbed Pair Natural Orbitals for Coupled Cluster Linear Response Theory
Ruhee D'Cunha, T Daniel Crawford
The Journal of Physical Chemistry. A
|
April 8, 2021
Modeling Complex Solvent Effects on the Optical Rotation of Chiral Molecules: A Combined Molecular Dynamics and Density Functional Theory Study
Ruhee D'Cunha, T Daniel Crawford
The Journal of Physical Chemistry. A
|
April 11, 2023
Challenges in the Use of Quantum Computing Hardware-Efficient Ansätze in Electronic Structure Theory
Ruhee D'Cunha, T Daniel Crawford, Mario Motta, et al.
Journal of Chemical Theory and Computation
|
April 12, 2024
State Preparation in Quantum Algorithms for Fragment-Based Quantum Chemistry
Ruhee D'Cunha, Matthew Otten, Matthew R Hermes, et al.
The Journal of Physical Chemistry. A
|
May 16, 2020
Machine-Learning Coupled Cluster Properties through a Density Tensor Representation
Benjamin G Peyton, Connor Briggs, Ruhee D'Cunha, et al.
The Journal of Physical Chemistry. A
|
August 18, 2025
Nonunitary Variational Quantum Eigensolver with the Localized Active Space Method and Cost Mitigation
Qiaohong Wang, Ruhee D'Cunha, Abhishek Mitra, et al.
Journal of Chemical Theory and Computation
|
July 16, 2025
Polynomial Scaling Localized Active Space Unitary Selective Coupled Cluster Singles and Doubles
Shreya Verma, Ruhee D'Cunha, Abhishek Mitra, et al.
Journal of Chemical Theory and Computation
|
January 2, 2025
Correction to "The Localized Active Space Method with Unitary Selective Coupled Cluster"
Abhishek Mitra, Ruhee D'Cunha, Qiaohong Wang, et al.
Journal of Chemical Theory and Computation
|
September 10, 2024
The Localized Active Space Method with Unitary Selective Coupled Cluster
Abhishek Mitra, Ruhee D'Cunha, Qiaohong Wang, et al.
Chemical Reviews
|
February 24, 2026
Correction to "Multireference Embedding and Fragmentation Methods for Classical and Quantum Computers: From Model Systems to Realistic Applications"
Shreya Verma, Abhishek Mitra, Qiaohong Wang, et al.
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of 2
Search research articles
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Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
December 22, 2020
PNO++: Perturbed Pair Natural Orbitals for Coupled Cluster Linear Response Theory
Ruhee D'Cunha, T Daniel Crawford
The Journal of Physical Chemistry. A
|
April 8, 2021
Modeling Complex Solvent Effects on the Optical Rotation of Chiral Molecules: A Combined Molecular Dynamics and Density Functional Theory Study
Ruhee D'Cunha, T Daniel Crawford
The Journal of Physical Chemistry. A
|
April 11, 2023
Challenges in the Use of Quantum Computing Hardware-Efficient Ansätze in Electronic Structure Theory
Ruhee D'Cunha, T Daniel Crawford, Mario Motta, et al.
Journal of Chemical Theory and Computation
|
April 12, 2024
State Preparation in Quantum Algorithms for Fragment-Based Quantum Chemistry
Ruhee D'Cunha, Matthew Otten, Matthew R Hermes, et al.
The Journal of Physical Chemistry. A
|
May 16, 2020
Machine-Learning Coupled Cluster Properties through a Density Tensor Representation
Benjamin G Peyton, Connor Briggs, Ruhee D'Cunha, et al.
The Journal of Physical Chemistry. A
|
August 18, 2025
Nonunitary Variational Quantum Eigensolver with the Localized Active Space Method and Cost Mitigation
Qiaohong Wang, Ruhee D'Cunha, Abhishek Mitra, et al.
Journal of Chemical Theory and Computation
|
July 16, 2025
Polynomial Scaling Localized Active Space Unitary Selective Coupled Cluster Singles and Doubles
Shreya Verma, Ruhee D'Cunha, Abhishek Mitra, et al.
Journal of Chemical Theory and Computation
|
January 2, 2025
Correction to "The Localized Active Space Method with Unitary Selective Coupled Cluster"
Abhishek Mitra, Ruhee D'Cunha, Qiaohong Wang, et al.
Journal of Chemical Theory and Computation
|
September 10, 2024
The Localized Active Space Method with Unitary Selective Coupled Cluster
Abhishek Mitra, Ruhee D'Cunha, Qiaohong Wang, et al.
Chemical Reviews
|
February 24, 2026
Correction to "Multireference Embedding and Fragmentation Methods for Classical and Quantum Computers: From Model Systems to Realistic Applications"
Shreya Verma, Abhishek Mitra, Qiaohong Wang, et al.
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of 2