Dipayan Datta

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 8

Top Topics

Transition Metal

Molecular Dynamics

Acute Heart Failure

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry. A

The Journal of chemical physics

This page only lists publications with an associated author ORCID identifier.

Publications

Buu Q Pham, Laura Carrington, Ananta Tiwari, Sarom S Leang, Melisa Alkan, Colleen Bertoni, Dipayan Datta, Tosaporn Sattasathuchana, Peng Xu, Mark S Gordon
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 (16) (2023)
Federico Zahariev, Peng Xu, Bryce M Westheimer, Simon P Webb, Jorge Galvez Vallejo, Ananta Tiwari, Vaibhav Sundriyal, Masha Sosonkina, Jun Shen, George Schoendorff, Megan Schlinsog, Tosaporn Sattasathuchana, Klaus Ruedenberg, Luke B Roskop, Alistair P Rendell, David Poole, Piotr Piecuch, Buu Q Pham, Vladimir Mironov, Joani Mato, Sam Leonard, Sarom S Leang, Joe Ivanic, Jackson Hayes, Taylor Harville, Karthik Gururangan, Emilie B Guidez, Igor S Gerasimov, Christian Friedl, Katherine N Ferreras, George Elliott, Dipayan Datta, Daniel Del Angel Cruz, Laura Carrington, Colleen Bertoni, Giuseppe M J Barca, Melisa Alkan, Mark S Gordon
The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures. Journal of chemical theory and computation (2023)
Dipayan Datta, Mark S Gordon
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 (2023)
Jorge L Galvez Vallejo, Garrett M Tow, Edward J Maginn, Buu Q Pham, Dipayan Datta, Mark S Gordon
Quantum Chemical Modeling of Propellant Degradation. The journal of physical chemistry. A 127 (8) (2023)
Jorge L Galvez Vallejo, Garrett M Tow, Edward J Maginn, Buu Q Pham, Dipayan Datta, Mark S Gordon
Quantum Chemical Modeling of Propellant Degradation. The journal of physical chemistry. A (2023)
Dipayan Datta, Mark S Gordon
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 17 (8) (2021)
Buu Q Pham, Dipayan Datta, Mark S Gordon
PDG: A Composite Method Based on the Resolution of the Identity. The journal of physical chemistry. A 125 (42) (2021)
Dipayan Datta, Jürgen Gauss
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 15 (3) (2019)