Susanta Das

10PUBLICATIONS
25CO-AUTHORS
Statistical mechanics, physical combinatorics and mathematical aspects of condensed matterTheoretical quantum chemistryNonlinear optics and spectroscopyComputational chemistryCharacterisation of biological macromolecules
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Publications (10)

|Jun 15, 2026
Quantum-Centric Alchemical Free Energy Calculations.

|Jun 04, 2026
Molecular Quantum Computations on a Protein.

|Sep 09, 2025
Exploring the Frontiers of Computational NMR: Methods, Applications, and Challenges.

Susanta Das, Kenneth M Merz

|Jul 08, 2025
Toward Quantum-Centric Simulations of Extended Molecules: Sample-Based Quantum Diagonalization Enhanced with Density Matrix Embedding Theory.

Akhil Shajan, Danil Kaliakin, Abhishek Mitra

|Jan 11, 2024
Molecular Gas-Phase Conformational Ensembles.

Susanta Das, Kenneth M Merz

|Aug 07, 2023
Rapid and Automated Ab Initio Metabolite Collisional Cross Section Prediction from SMILES Input.

Susanta Das, Laleh Dinpazhoh, Kiyoto Aramis Tanemura

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Frequent Collaborators

10 joint publications

Kenneth M Merz

3 joint publications

Arthur S Edison

3 joint publications

Danil Kaliakin

3 joint publications

Akhil Shajan