Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Prasanjit Samal

14PUBLICATIONS

18CO-AUTHORS

Theoretical quantum chemistryMathematical aspects of general relativityComputational chemistryMetals and alloy materialsStatistical mechanics in chemistry

Featured researcher

Get your video featured.

Publish with JoVE

Featured researcher

Get your video featured.

Publish with JoVE

Publications (14)

Sort by Publication Date:

|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

Pageof 3

Frequent Collaborators

8 joint publications

Subrata Jana

6 joint publications

Abhilash Patra

6 joint publications

Lucian A Constantin

3 joint publications

Szymon Śmiga

1 joint publications

Kedar Sharma

1 joint publications

Rabeet Singh

1 joint publications

Bikash Patra

1 joint publications

Letizia Chiodo

1 joint publications

Sushant Kumar Behera

1 joint publications

Fabien Tran

Frequent Collaborators

8 joint publications

Subrata Jana

6 joint publications

Abhilash Patra

6 joint publications

Lucian A Constantin

3 joint publications

Szymon Śmiga

Top Related Videos

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Published on : Apr 08, 2020

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on : Oct 12, 2019

See more related videos

Top Related Videos

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Published on : Apr 08, 2020

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on : Oct 12, 2019

See more related videos