Dipayan Datta, Ph.D.
Affiliations: | 2024- | Chemistry and Biochemistry | Ohio University, Athens, OH, United States |
Area:
Electronic Structure TheoryGoogle:
"Dipayan Datta"Bio:
Assistant Professor
Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Debashis Mukherjee | grad student | 2005-2010 | IACS Kolkata |
| Marcel A.Th.F. Nooijen | post-doc | 2010-2011 | University of Waterloo |
| Jürgen Gauss | post-doc | 2012-2014 | Universität Mainz |
| Frank Neese | post-doc | 2015-2016 | MPI für Kohlenforshung |
| Mark S. Gordon | post-doc | 2019-2024 | Iowa State University/Ames Lab (DOE) |
BETA: Related publications
See more...
Publications
|
You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect. |
| Datta D, Gordon MS. (2023) Accelerating Coupled-Cluster Calculations with GPUs: An Implementation of the Density-Fitted CCSD(T) Approach for Heterogeneous Computing Architectures Using OpenMP Directives. Journal of Chemical Theory and Computation. 19: 7640-7657 |
| Zahariev F, Xu P, Westheimer BM, et al. (2023) The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures. Journal of Chemical Theory and Computation. 19: 7031-7055 |
| Pham BQ, Carrington L, Tiwari A, et al. (2023) Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller-Plesset perturbation method. The Journal of Chemical Physics. 158 |
| Galvez Vallejo JL, Tow GM, Maginn EJ, et al. (2023) Quantum Chemical Modeling of Propellant Degradation. The Journal of Physical Chemistry. A |
| Pham BQ, Datta D, Gordon MS. (2021) PDG: A Composite Method Based on the Resolution of the Identity. The Journal of Physical Chemistry. A. 125: 9421-9429 |
| Datta D, Gordon MS. (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. Journal of Chemical Theory and Computation |
| Datta D, Saitow M, Sandhöfer B, et al. (2020) Fe Mössbauer parameters from domain based local pair-natural orbital coupled-cluster theory. The Journal of Chemical Physics. 153: 204101 |
| Barca GMJ, Bertoni C, Carrington L, et al. (2020) Recent developments in the general atomic and molecular electronic structure system. The Journal of Chemical Physics. 152: 154102 |
| Datta D, Gauss J. (2019) Accurate prediction of hyperfine coupling tensors for main group elements using a unitary group based rigorously spin-adapted coupled-cluster theory. Journal of Chemical Theory and Computation |
| Datta D, Kossmann S, Neese F. (2016) Analytic energy derivatives for the calculation of the first-order molecular properties using the domain-based local pair-natural orbital coupled-cluster theory The Journal of Chemical Physics. 145: 114101 |