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Dipayan Datta

7PUBLICATIONS

19CO-AUTHORS

OptimisationProcedural content generationFormal methods for softwareChemical thermodynamics and energeticsChemical and thermal processes in energy and combustion

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Publications (7)

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|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

|Jul 19, 2021

A Massively Parallel Implementation of the CCSD(T) Method Using the Resolution-of-the-Identity Approximation and a Hybrid Distributed/Shared Memory Parallelization Model.

Dipayan Datta, Mark S Gordon

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Frequent Collaborators

5 joint publications

Mark S Gordon

1 joint publications

Garrett M Tow

1 joint publications

Edward J Maginn

1 joint publications

Buu Q Pham

1 joint publications

Colleen Bertoni

1 joint publications

Tosaporn Sattasathuchana

1 joint publications

Peng Xu

1 joint publications

Mark S Gordon

1 joint publications

Simon Webb

1 joint publications

Jun Shen

Frequent Collaborators

5 joint publications

Mark S Gordon

1 joint publications

Garrett M Tow

1 joint publications

Edward J Maginn

1 joint publications

Buu Q Pham

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