Yunpeng Lu

12PUBLICATIONS
25CO-AUTHORS
EcohydrologyBiomolecular modelling and designReaction engineering (excl. nuclear reactions)NanoelectronicsMolecular and organic electronics
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Publications (12)

|Jan 06, 2026
An 8-dimensional symmetry-adapted neural network potential energy surface for H2 dissociative chemisorption on hexagonal boron nitride ortho site with explicit surface atom motion.

Daniil Kargin, Yunpeng Lu

|Oct 13, 2025
Exploring the Effectiveness of Three-Dimensional Molecular Representations in Caco-2 Permeability Prediction.

Ping Boon Ng, Yunpeng Lu

|Jul 25, 2025
Role of Trifluoroacetic Acid Anions in pHP1α Liquid-Liquid Phase Separations.

Sze Yuet Chin, Yinglu Chen, Lei Zhao

|Jun 20, 2025
Tunable layer-specific polarizability in twisted multilayer graphene flakes capped with hexagonal boron nitride.

Xian Wang, Wenfeng Guang, Yunpeng Lu

|Jan 18, 2025
Data-Driven Discovery of High-Performance Heterobilayer Transition Metal Dichalcogenide-Based Sliding Ferroelectrics.

Xian Wang, Peng Wang, Xiaoqing Liu

|May 24, 2024
An efficient and universal parallel algorithm for high-dimensional quantum dynamics in poly-atomic reactions.

Yong Zhou, Yunpeng Lu, Zhaojun Zhang

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Frequent Collaborators

2 joint publications

Xian Wang

1 joint publications

Atsushi Kaga

1 joint publications

Joel Yi Jie Lim

1 joint publications

Shunsuke Chiba