Search

Categories

Catalysis

(2)

Materials Chemistry

(1)

Organic Chemistry

(1)

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(3)

Published Date

Last 3 years

(3)

Last 12 months

(1)

Keywords

Authors

Manyi Yang

3 results in Authors: Manyi Yang

Organic Chemistry

Ab initio Accuracy Neural Network Potential for Drug-like Molecules

Manyi Yang, Duo Zhang, Xinyan Wang, Lingfeng Zhang, Tong Zhu, Han Wang

Version 1 posted 20 May 2024

762

Downloads

How Does Structural Disorder Impact Heterogeneous Catalysts? The Case of Ammonia Decomposition on Non-Stoichiometric Lithium Imide

Francesco Mambretti, Umberto Raucci, Manyi Yang, Michele Parrinello

Version 1 posted 09 November 2023

415

Downloads

Reactant-Induced Dynamics of Lithium Imide Surfaces during the Ammonia Decomposition Process

Manyi Yang, Umberto Raucci, Michele Parrinello

Version 2 posted 02 August 2023

1,880

Downloads