Shubhajit Das

12PUBLICATIONS
25CO-AUTHORS
Organic semiconductorsChemical and thermal processes in energy and combustionSupramolecular chemistryComputational chemistryFunctional materials
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Publications (12)

|Nov 01, 2026
When are Two-Dimensional Covalent Organic Frameworks Good Electrodes for Lithium Ion Batteries? A Data-Driven Analysis.

|Feb 16, 2026
Inverse design of frustrated Lewis pairs for direct catalytic CO2 hydrogenation: refining and expanding design rules.

Shubhajit Das, Ruben Laplaza, Thanapat Worakul

|Feb 25, 2025
Engineering Photoswitching Dynamics in 3D Photochromic Metal-Organic Frameworks through a Metal-Organic Polyhedron Design.

Eunji Jin, Volodymyr Bon, Shubhajit Das

|Nov 21, 2024
Capturing Dichotomic Solvent Behavior in Solute-Solvent Reactions with Neural Network Potentials.

Frédéric Célerse, Veronika Juraskova, Shubhajit Das

|Jul 11, 2024
Microkinetic Molecular Volcano Plots for Enhanced Catalyst Selectivity and Activity Predictions.

Thanapat Worakul, Rubén Laplaza, Shubhajit Das

|May 30, 2024
Engineering Frustrated Lewis Pair Active Sites in Porous Organic Scaffolds for Catalytic CO2 Hydrogenation.

Shubhajit Das, Ruben Laplaza, J Terence Blaskovits

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Frequent Collaborators

7 joint publications

Clémence Corminboeuf

3 joint publications

Swapan K Pati

3 joint publications

Ruben Laplaza

3 joint publications

Matthew D Wodrich