Nabankur Dasgupta

5PUBLICATIONS
12CO-AUTHORS
Aerospace materialsMetal organic frameworksColloid and surface chemistryPolymerisation mechanisms
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Publications (5)

|Jun 20, 2025
Allegro-FM: Toward an Equivariant Foundation Model for Exascale Molecular Dynamics Simulations.

Ken-Ichi Nomura, Shinnosuke Hattori, Satoshi Ohmura

|Mar 17, 2023
Control of the Structural Charge Distribution and Hydration State upon Intercalation of CO2 into Expansive Clay Interlayers.

Tuan A Ho, Yifeng Wang, Susan B Rempe

|Feb 09, 2023
Hydrophobic Nanoconfinement Enhances CO2 Conversion to H2CO3.

Nabankur Dasgupta, Tuan A Ho, Susan B Rempe

|Jan 21, 2022
Development and application of ReaxFF methodology for understanding the chemical dynamics of metal carbonates in aqueous solutions.

Nabankur Dasgupta, Chen Chen, Adri C T van Duin

|Jun 05, 2020
Simulations of the Biodegradation of Citrate-Based Polymers for Artificial Scaffolds Using Accelerated Reactive Molecular Dynamics.

Nabankur Dasgupta, Dundar E Yilmaz, Adri van Duin

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Frequent Collaborators

2 joint publications

Tuan A Ho

2 joint publications

Susan B Rempe

1 joint publications

Dundar E Yilmaz

1 joint publications

Adri van Duin