Dipayan Datta

8PUBLICATIONS
19CO-AUTHORS
Theoretical quantum chemistryOptimisationProcedural content generationFormal methods for softwareChemical thermodynamics and energetics
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Publications (8)

|Sep 22, 2026
Breaking bonds on graphical processing units: Scalable implementations of the density-fitted CR-CC(2,3) and ΛCCSD(T) approaches.

|Oct 25, 2023
Accelerating Coupled-Cluster Calculations with GPUs: An Implementation of the Density-Fitted CCSD(T) Approach for Heterogeneous Computing Architectures Using OpenMP Directives.

Dipayan Datta, Mark S Gordon

|Oct 04, 2023
The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures.

Federico Zahariev, Peng Xu, Bryce M Westheimer

|Apr 28, 2023
Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller-Plesset perturbation method.

Buu Q Pham, Laura Carrington, Ananta Tiwari

|Feb 15, 2023
Quantum Chemical Modeling of Propellant Degradation.

Jorge L Galvez Vallejo, Garrett M Tow, Edward J Maginn

|Oct 18, 2021
PDG: A Composite Method Based on the Resolution of the Identity.

Buu Q Pham, Dipayan Datta, Mark S Gordon

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Frequent Collaborators

5 joint publications

Mark S Gordon

2 joint publications

Mark S Gordon

1 joint publications

Garrett M Tow

1 joint publications

Edward J Maginn