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List of works by Yudong Qiu

Bond-Order Time Series Analysis for Detecting Reaction Events in Ab Initio Molecular Dynamics Simulations

scientific article published on 13 February 2020

Development and Benchmarking of Open Force Field v1.0.0—the Parsley Small-Molecule Force Field

scientific article published on 22 September 2021

Driving torsion scans with wavefront propagation

scientific article published on 01 June 2020

Polarizable Molecular Simulations Reveal How Silicon-Containing Functional Groups Govern the Desalination Mechanism in Nanoporous Graphene

scientific article published on 09 July 2018

Quantum chemical studies of redox properties and conformational changes of a four-center iron CO2 reduction electrocatalyst.

scientific article

Systematic Optimization of Water Models Using Liquid/Vapor Surface Tension Data

scientific article published on 31 July 2019

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