List of works - Cheng Shang

Analysis of the Contrasting Pathogenicities Induced by the D222G Mutation in 1918 and 2009 Pandemic Influenza A Viruses

scientific article

Atomic structure of boron resolved using machine learning and global sampling

scientific article published on 11 September 2018

Benchmarks for Characterization of Minima, Transition States, and Pathways in Atomic, Molecular, and Condensed Matter Systems

scientific article published in December 2014

Chiral Gold Nanowires with Boerdijk–Coxeter–Bernal Structure

scientific article published on 01 September 2014

Communication: optimal parameters for basin-hopping global optimization based on Tsallis statistics

scientific article published on 01 August 2014

Confined platinum nanoparticle in carbon nanotube: structure and oxidation

scientific article published on 05 December 2014

Constrained Broyden Dimer Method with Bias Potential for Exploring Potential Energy Surface of Multistep Reaction Process

scientific article published on 07 June 2012

Double-Ended Surface Walking Method for Pathway Building and Transition State Location of Complex Reactions

scientific article published on 22 November 2013

Efficient softest mode finding in transition states calculations.

scientific article

From Atoms to Fullerene: Stochastic Surface Walking Solution for Automated Structure Prediction of Complex Material

scientific article published on 20 June 2013

Glucose to 5-Hydroxymethylfurfural: Origin of Site-Selectivity Resolved by Machine Learning Based Reaction Sampling

scientific article published on 16 December 2019

How to make a porphyrin flip: dynamics of asymmetric porphyrin oligomers.

scientific article published on 28 September 2015

Large-Scale Atomic Simulation via Machine Learning Potentials Constructed by Global Potential Energy Surface Exploration

scientific article published on 17 September 2020

Massively parallelization strategy for material simulation using high-dimensional neural network potential

scientific article published on 10 November 2018

Material discovery by combining stochastic surface walking global optimization with a neural network

scientific article published on 30 June 2017

Origin and activity of gold nanoparticles as aerobic oxidation catalysts in aqueous solution

scientific article published on 7 June 2011

Pressure-induced silica quartz amorphization studied by iterative stochastic surface walking reaction sampling

scientific article published on 27 January 2017

Searching for new TiO₂ crystal phases with better photoactivity

scientific article published on 13 March 2015

Small molecule-mediated control of hydroxyapatite growth: free energy calculations benchmarked to density functional theory.

scientific article published on 28 October 2013

Stochastic Surface Walking Method for Structure Prediction and Pathway Searching.

scientific article published on 19 February 2013

Stochastic surface walking method for crystal structure and phase transition pathway prediction