Manyi Yang

3PUBLICATIONS
9CO-AUTHORS
Formal methods for softwareComputational chemistryCatalysis and mechanisms of reactions
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Publications (3)

|Oct 01, 2025
Phase diagram of CO2-I/III from molecular dynamics simulation using a PBE0-accuracy machine learning potential.

Benkun Hong, Guoao Li, Pei Liu

|Aug 27, 2025
Ab Initio Accuracy Neural Network Potential for Drug-Like Molecules.

Manyi Yang, Duo Zhang, Xinyan Wang

|Mar 01, 2024
Structure and polymerization of liquid sulfur across the λ-transition.

Manyi Yang, Enrico Trizio, Michele Parrinello

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