Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Lucian A Constantin

7PUBLICATIONS
8CO-AUTHORS
Theoretical quantum chemistryComputational chemistry
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (7)

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

|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

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

Abhilash Patra, Subrata Jana, Lucian A Constantin

|Apr 24, 2020
Improved transition metal surface energies from a generalized gradient approximation developed for quasi two-dimensional systems.

Abhilash Patra, Subrata Jana, Lucian A Constantin

|Feb 03, 2020
Screened range-separated hybrid by balancing the compact and slowly varying density regimes: Satisfaction of local density linear response.

Subrata Jana, Abhilash Patra, Lucian A Constantin

Pageof 2

Frequent Collaborators

6 joint publications

Subrata Jana

6 joint publications

Prasanjit Samal

4 joint publications

Abhilash Patra

3 joint publications

Szymon Śmiga

1 joint publications

Fabio Della Sala

1 joint publications

Letizia Chiodo

1 joint publications

Sushant Kumar Behera

1 joint publications

Hemanadhan Myneni

Frequent Collaborators

6 joint publications

Subrata Jana

6 joint publications

Prasanjit Samal

4 joint publications

Abhilash Patra

3 joint publications

Szymon Śmiga

Top Related Videos

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry
12:11

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

Published on : Apr 08, 2020

8.4K
Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on : Apr 12, 2019

13.1K
See more related videos

Top Related Videos

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry
12:11

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

Published on : Apr 08, 2020

8.4K
Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on : Apr 12, 2019

13.1K
See more related videos