Prasanjit Samal

14PUBLICATIONS
18CO-AUTHORS
Theoretical quantum chemistryMathematical aspects of general relativityComputational chemistryMetals and alloy materialsStatistical mechanics in chemistry
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Publications (14)

|Sep 23, 2021
Benchmark test of a dispersion corrected revised Tao-Mo semilocal functional for thermochemistry, kinetics, and noncovalent interactions of molecules and solids.

Subrata Jana, Hemanadhan Myneni, Szymon Śmiga

|Sep 16, 2021
Bandgap of two-dimensional materials: Thorough assessment of modern exchange-correlation functionals.

Fabien Tran, Jan Doumont, Leila Kalantari

|Jul 16, 2021
Accurate density functional made more versatile.

Subrata Jana, Sushant Kumar Behera, Szymon Śmiga

|Dec 09, 2020
Insights from the density functional performance of water and water-solid interactions: SCAN in relation to other meta-GGAs.

Subrata Jana, Abhilash Patra, Szymon Śmiga

|Nov 14, 2020
A way of resolving the order-of-limit problem of Tao-Mo semilocal functional.

Abhilash Patra, Subrata Jana, Prasanjit Samal

|Sep 03, 2020
Efficient yet accurate dispersion-corrected semilocal exchange-correlation functionals for non-covalent interactions.

Abhilash Patra, Subrata Jana, Lucian A Constantin

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Frequent Collaborators

8 joint publications

Subrata Jana

6 joint publications

Abhilash Patra

6 joint publications

Lucian A Constantin

3 joint publications

Szymon Śmiga