List of works - Qi-Jun Hong

A user guide for SLUSCHI : Solid and Liquid in Ultra Small Coexistence with Hovering Interfaces

article published in 2016

Ab initiocalculation of anisotropic interfacial excess free energies

scholarly article in Physical Review B, vol. 89 no. 18, May 2014

CO2 fixation into methanol at Cu/ZrO2 interface from first principles kinetic Monte Carlo

article published in 2009

Carbides and Nitrides of Zirconium and Hafnium

scientific article published on 26 August 2019

Combined computational and experimental investigation of high temperature thermodynamics and structure of cubic ZrO and HfO

scientific article published in Scientific Reports

Combined computational and experimental investigation of the refractory properties of La 2 Zr 2 O 7

Direct first-principles chemical potential calculations of liquids ⬇️

scientific article published on 01 September 2012

Epicycle method for elasticity limit calculations

scholarly article in Physical Review B, vol. 95 no. 14, April 2017

Equation of state of solid, liquid and gaseous tantalum from first principles

scholarly article by Ljubomir Miljacic et al published December 2015 in Calphad

Evaluation of individual and ensemble probabilistic forecasts of COVID-19 mortality in the US

scientific article published on 5 February 2021

Evaluation of individual and ensemble probabilistic forecasts of COVID-19 mortality in the United States

scientific article published in 2022

Free energy calculation of mechanically unstable but dynamically stabilized bcc titanium ⬇️

scholarly article by Sara Kadkhodaei et al published 2 February 2017 in Physical Review B

Mechanism of CO2 hydrogenation over Cu/ZrO2(2̅12) interface from first-principles kinetics Monte Carlo simulations

article published in 2010

Melting temperature prediction via first principles and deep learning

scientific article published in 2022

Prediction of the material with highest known melting point from ab initio molecular dynamics calculations

scientific article

Software tools for high-throughput CALPHAD from first-principles data

Solid-liquid coexistence in small systems: A statistical method to calculate melting temperatures

scientific article published in September 2013

Tetrahedron-tiling method for crystal structure prediction

The free energy of mechanically unstable phases.

scientific article published in July 2015

List of works by Qi-Jun Hong