Yuanhui Pan

5PUBLICATIONS
9CO-AUTHORS
Biomolecular modelling and designHydrometallurgyMain group metal chemistryCompound semiconductorsCondensed matter modelling and density functional theory
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Publications (5)

|Jun 10, 2025
Toward Chemical Accuracy in Biomolecular Simulations through Data-Driven Many-Body Potentials: I. Polyalanine in the Gas Phase.

Ruihan Zhou, Ethan F Bull-Vulpe, Yuanhui Pan

|Jun 09, 2025
Thermodynamics of alkali metal ion uptake from aqueous solution in MOF-808.

Yuanhui Pan, Suman Saha, Matthew Burigana

|Jan 17, 2025
Electroreduction-Driven Formation and Connectivity of Polyoxometalate Coordination Networks.

Haeun Chang, Linfeng Chen, Erika Samolova

|Sep 30, 2024
Concentration-Dependent Layer-Stacking and the Influence on Phase-Conversion in Colloidally Synthesized WSe2 Nanocrystals.

Jessica Q Geisenhoff, Yuanhui Pan, Hang Yin

|Dec 27, 2023
Balance between Physical Interpretability and Energetic Predictability in Widely Used Dispersion-Corrected Density Functionals.

Saswata Dasgupta, Etienne Palos, Yuanhui Pan

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Frequent Collaborators

5 joint publications

Francesco Paesani

2 joint publications

Alina M Schimpf

1 joint publications

Saswata Dasgupta

1 joint publications

Linfeng Chen