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Journal of Chemical Theory and Computation
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January 19, 2023
Efficient All-Electron Time-Dependent Density Functional Theory Calculations Using an Enriched Finite Element Basis
Bikash Kanungo, Nelson D Rufus, Vikram Gavini
The Journal of Physical Chemistry Letters
|
December 13, 2021
A Comparison of Exact and Model Exchange-Correlation Potentials for Molecules
Bikash Kanungo, Paul M Zimmerman, Vikram Gavini
Nature Communications
|
October 5, 2019
Exact exchange-correlation potentials from ground-state electron densities
Bikash Kanungo, Paul M Zimmerman, Vikram Gavini
The Journal of Chemical Physics
|
February 14, 2025
Accelerating inverse Kohn-Sham calculations using reduced density matrices
Bikash Kanungo, Soumi Tribedi, Paul M Zimmerman, et al.
The Journal of Physical Chemistry Letters
|
November 1, 2023
Exact and Model Exchange-Correlation Potentials for Open-Shell Systems
Bikash Kanungo, Jeffrey Hatch, Paul M Zimmerman, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 26, 2024
Benchmarking DFT approximations for studying apatites
Aritri Roy, Bikash Kanungo, Puneet Kumar Patra, et al.
Science Advances
|
September 19, 2025
Learning local and semi-local density functionals from exact exchange-correlation potentials and energies
Bikash Kanungo, Jeffrey Hatch, Paul M Zimmerman, et al.
Journal of Computational Chemistry
|
January 2, 2025
Examining the Impact of Local Constraint Violations on Energy Computations in DFT
Vaibhav Khanna, Bikash Kanungo, Vikram Gavini, et al.
The Journal of Physical Chemistry. A
|
April 29, 2025
Exchange-Correlation Potentials and Energy Densities through Orbital Averaging and Aufbau Integration
Vaibhav Khanna, Bikash Kanungo, Jeffrey Hatch, et al.
Annual Review of Physical Chemistry
|
January 30, 2026
Bridges from Wavefunction Theory to Density Functional Theory
Vaibhav Khanna, Soumi Tribedi, Bikash Kanungo, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
January 19, 2023
Efficient All-Electron Time-Dependent Density Functional Theory Calculations Using an Enriched Finite Element Basis
Bikash Kanungo, Nelson D Rufus, Vikram Gavini
The Journal of Physical Chemistry Letters
|
December 13, 2021
A Comparison of Exact and Model Exchange-Correlation Potentials for Molecules
Bikash Kanungo, Paul M Zimmerman, Vikram Gavini
Nature Communications
|
October 5, 2019
Exact exchange-correlation potentials from ground-state electron densities
Bikash Kanungo, Paul M Zimmerman, Vikram Gavini
The Journal of Chemical Physics
|
February 14, 2025
Accelerating inverse Kohn-Sham calculations using reduced density matrices
Bikash Kanungo, Soumi Tribedi, Paul M Zimmerman, et al.
The Journal of Physical Chemistry Letters
|
November 1, 2023
Exact and Model Exchange-Correlation Potentials for Open-Shell Systems
Bikash Kanungo, Jeffrey Hatch, Paul M Zimmerman, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 26, 2024
Benchmarking DFT approximations for studying apatites
Aritri Roy, Bikash Kanungo, Puneet Kumar Patra, et al.
Science Advances
|
September 19, 2025
Learning local and semi-local density functionals from exact exchange-correlation potentials and energies
Bikash Kanungo, Jeffrey Hatch, Paul M Zimmerman, et al.
Journal of Computational Chemistry
|
January 2, 2025
Examining the Impact of Local Constraint Violations on Energy Computations in DFT
Vaibhav Khanna, Bikash Kanungo, Vikram Gavini, et al.
The Journal of Physical Chemistry. A
|
April 29, 2025
Exchange-Correlation Potentials and Energy Densities through Orbital Averaging and Aufbau Integration
Vaibhav Khanna, Bikash Kanungo, Jeffrey Hatch, et al.
Annual Review of Physical Chemistry
|
January 30, 2026
Bridges from Wavefunction Theory to Density Functional Theory
Vaibhav Khanna, Soumi Tribedi, Bikash Kanungo, et al.
Page
of 2