Subrata Jana

20PUBLICATIONS
21CO-AUTHORS
Theoretical quantum chemistryOrganic semiconductorsMetals and alloy materialsRadiation and matterStatistical mechanics in chemistry
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Publications (20)

|Jun 12, 2026
Nonlocal Orbital-Free Kinetic Energy Functional from the Jellium-with-Gap Model for Finite Systems.

|May 29, 2026
Frontier Orbital Engineering in Heteroatom-Doped Prototypical Organic Dyes for Dye-Sensitized Solar Cells.

|Oct 16, 2025
High ZT and low lattice thermal conductivity in defective half-Heusler Zr0.75PtSb1-xBixalloys: promising for mid- and high-temperature thermoelectric applications.

Suman Mahakal, Subrata Jana, Prasanjit Samal

|Aug 04, 2025
Simplified, Physically Motivated, and Broadly Applicable Range-Separation Tuning.

Aditi Singh, Subrata Jana, Lucian A Constantin

|May 12, 2025
Strain trailing band engineering and phonon transport of high ZT ZrCoBi half-Heusler alloy: a mechanistic understanding from first principles.

Suman Mahakal, Avijit Jana, Subrata Jana

|Mar 25, 2025
An Analysis of Regularized Second-Order Energy Expressions in the Context of Post-HF and KS-DFT Calculations: What Do We Gain and What Do We Lose?

Igor Sawicki, Vincenzo Triglione, Subrata Jana

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Frequent Collaborators

14 joint publications

Subrata Jana

7 joint publications

Szymon Śmiga

6 joint publications

Lucian A Constantin

2 joint publications

Abhishek Bhattacharjee