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The Journal of Physical Chemistry. A
|
March 22, 2018
A Parameter-Free Semilocal Exchange Energy Functional for Two-Dimensional Quantum Systems
Abhilash Patra, Subrata Jana, Prasanjit Samal
The Journal of Chemical Physics
|
August 3, 2018
Assessing the performance of the Tao-Mo semilocal density functional in the projector-augmented-wave method
Subrata Jana, Abhilash Patra, Prasanjit Samal
The Journal of Chemical Physics
|
September 10, 2018
Efficient lattice constants and energy bandgaps for condensed systems from a meta-GGA level screened range-separated hybrid functional
Subrata Jana, Abhilash Patra, Prasanjit Samal
The Journal of Chemical Physics
|
November 3, 2018
Assessing the performance of the recent meta-GGA density functionals for describing the lattice constants, bulk moduli, and cohesive energies of alkali, alkaline-earth, and transition metals
Subrata Jana, Kedar Sharma, Prasanjit Samal
The Journal of Physical Chemistry. A
|
June 27, 2019
Improving the Performance of Tao-Mo Non-empirical Density Functional with Broader Applicability in Quantum Chemistry and Materials Science
Subrata Jana, Kedar Sharma, Prasanjit Samal
The Journal of Chemical Physics
|
June 14, 2024
First step toward a parameter-free, nonlocal kinetic energy density functional for semiconductors and simple metals
Abhishek Bhattacharjee, Subrata Jana, Prasanjit Samal
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
October 16, 2025
High ZT and low lattice thermal conductivity in defective half-Heusler Zr<sub>0.75</sub>PtSb1-xBi<sub><i>x</i></sub>alloys: promising for mid- and high-temperature thermoelectric applications
Suman Mahakal, Subrata Jana, Prasanjit Samal
The Journal of Chemical Physics
|
September 18, 2023
Density functional applications of jellium with a local gap model correlation energy functional
Subrata Jana, Lucian A Constantin, Prasanjit Samal
Journal of Chemical Theory and Computation
|
January 8, 2020
Accurate Water Properties from an Efficient ab Initio Method
Subrata Jana, Lucian A Constantin, Prasanjit Samal
Physical Chemistry Chemical Physics : PCCP
|
May 12, 2025
Strain trailing band engineering and phonon transport of high <i>ZT</i> ZrCoBi half-Heusler alloy: a mechanistic understanding from first principles
Suman Mahakal, Avijit Jana, Subrata Jana, et al.
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Showing results (11-20 of 43) with videos related to
Sort By:
Page
of 5
The Journal of Physical Chemistry. A
|
March 22, 2018
A Parameter-Free Semilocal Exchange Energy Functional for Two-Dimensional Quantum Systems
Abhilash Patra, Subrata Jana, Prasanjit Samal
The Journal of Chemical Physics
|
August 3, 2018
Assessing the performance of the Tao-Mo semilocal density functional in the projector-augmented-wave method
Subrata Jana, Abhilash Patra, Prasanjit Samal
The Journal of Chemical Physics
|
September 10, 2018
Efficient lattice constants and energy bandgaps for condensed systems from a meta-GGA level screened range-separated hybrid functional
Subrata Jana, Abhilash Patra, Prasanjit Samal
The Journal of Chemical Physics
|
November 3, 2018
Assessing the performance of the recent meta-GGA density functionals for describing the lattice constants, bulk moduli, and cohesive energies of alkali, alkaline-earth, and transition metals
Subrata Jana, Kedar Sharma, Prasanjit Samal
The Journal of Physical Chemistry. A
|
June 27, 2019
Improving the Performance of Tao-Mo Non-empirical Density Functional with Broader Applicability in Quantum Chemistry and Materials Science
Subrata Jana, Kedar Sharma, Prasanjit Samal
The Journal of Chemical Physics
|
June 14, 2024
First step toward a parameter-free, nonlocal kinetic energy density functional for semiconductors and simple metals
Abhishek Bhattacharjee, Subrata Jana, Prasanjit Samal
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
October 16, 2025
High ZT and low lattice thermal conductivity in defective half-Heusler Zr<sub>0.75</sub>PtSb1-xBi<sub><i>x</i></sub>alloys: promising for mid- and high-temperature thermoelectric applications
Suman Mahakal, Subrata Jana, Prasanjit Samal
The Journal of Chemical Physics
|
September 18, 2023
Density functional applications of jellium with a local gap model correlation energy functional
Subrata Jana, Lucian A Constantin, Prasanjit Samal
Journal of Chemical Theory and Computation
|
January 8, 2020
Accurate Water Properties from an Efficient ab Initio Method
Subrata Jana, Lucian A Constantin, Prasanjit Samal
Physical Chemistry Chemical Physics : PCCP
|
May 12, 2025
Strain trailing band engineering and phonon transport of high <i>ZT</i> ZrCoBi half-Heusler alloy: a mechanistic understanding from first principles
Suman Mahakal, Avijit Jana, Subrata Jana, et al.
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