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The Journal of Chemical Physics
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January 10, 2020
Green's function coupled cluster simulation of the near-valence ionizations of DNA-fragments
Bo Peng, Karol Kowalski, Ajay Panyala, et al.
Journal of Computational Chemistry
|
January 31, 2025
Projector-Based Quantum Embedding Study of Iron Complexes
Jonathan M Waldrop, Ajay Panyala, Daniel Mejia-Rodriguez, et al.
The Journal of Chemical Physics
|
November 22, 2024
Exploring the exact limits of the real-time equation-of-motion coupled cluster cumulant Green's functions
Bo Peng, Himadri Pathak, Ajay Panyala, et al.
Journal of Chemical Theory and Computation
|
December 15, 2025
Quantum Electrodynamics Coupled-Cluster at Scale: High-Performance Implementation for Complex Systems
Nicholas P Bauman, Himadri Pathak, Marcus D Liebenthal, et al.
Bioinformatics Advances
|
May 15, 2024
MerCat2: a versatile <i>k</i>-mer counter and diversity estimator for database-independent property analysis obtained from omics data
Jose L Figueroa, Andrew Redinbo, Ajay Panyala, et al.
Journal of Chemical Theory and Computation
|
April 25, 2023
Real-Time Equation-of-Motion Coupled-Cluster Cumulant Green's Function Method: Heterogeneous Parallel Implementation Based on the Tensor Algebra for Many-Body Methods Infrastructure
Himadri Pathak, Ajay Panyala, Bo Peng, et al.
The Journal of Chemical Physics
|
August 3, 2022
Real-time equation-of-motion CC cumulant and CC Green's function simulations of photoemission spectra of water and water dimer
Fernando D Vila, John J Rehr, Himadri Pathak, et al.
The Journal of Chemical Physics
|
July 10, 2023
TAMM: Tensor algebra for many-body methods
Erdal Mutlu, Ajay Panyala, Nitin Gawande, et al.
The Journal of Chemical Physics
|
March 1, 2023
High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation
Jan P Unsleber, Hongbin Liu, Leopold Talirz, et al.
The Journal of Chemical Physics
|
May 12, 2023
PluginPlay: Enabling exascale scientific software one module at a time
Ryan M Richard, Kristopher Keipert, Jonathan Waldrop, et al.
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Search research articles
Search
Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
January 10, 2020
Green's function coupled cluster simulation of the near-valence ionizations of DNA-fragments
Bo Peng, Karol Kowalski, Ajay Panyala, et al.
Journal of Computational Chemistry
|
January 31, 2025
Projector-Based Quantum Embedding Study of Iron Complexes
Jonathan M Waldrop, Ajay Panyala, Daniel Mejia-Rodriguez, et al.
The Journal of Chemical Physics
|
November 22, 2024
Exploring the exact limits of the real-time equation-of-motion coupled cluster cumulant Green's functions
Bo Peng, Himadri Pathak, Ajay Panyala, et al.
Journal of Chemical Theory and Computation
|
December 15, 2025
Quantum Electrodynamics Coupled-Cluster at Scale: High-Performance Implementation for Complex Systems
Nicholas P Bauman, Himadri Pathak, Marcus D Liebenthal, et al.
Bioinformatics Advances
|
May 15, 2024
MerCat2: a versatile <i>k</i>-mer counter and diversity estimator for database-independent property analysis obtained from omics data
Jose L Figueroa, Andrew Redinbo, Ajay Panyala, et al.
Journal of Chemical Theory and Computation
|
April 25, 2023
Real-Time Equation-of-Motion Coupled-Cluster Cumulant Green's Function Method: Heterogeneous Parallel Implementation Based on the Tensor Algebra for Many-Body Methods Infrastructure
Himadri Pathak, Ajay Panyala, Bo Peng, et al.
The Journal of Chemical Physics
|
August 3, 2022
Real-time equation-of-motion CC cumulant and CC Green's function simulations of photoemission spectra of water and water dimer
Fernando D Vila, John J Rehr, Himadri Pathak, et al.
The Journal of Chemical Physics
|
July 10, 2023
TAMM: Tensor algebra for many-body methods
Erdal Mutlu, Ajay Panyala, Nitin Gawande, et al.
The Journal of Chemical Physics
|
March 1, 2023
High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation
Jan P Unsleber, Hongbin Liu, Leopold Talirz, et al.
The Journal of Chemical Physics
|
May 12, 2023
PluginPlay: Enabling exascale scientific software one module at a time
Ryan M Richard, Kristopher Keipert, Jonathan Waldrop, et al.
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of 2