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Qijun Hong
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CO2 fixation into methanol at Cu/ZrO2 interface from first principles kinetic Monte Carlo
QL Tang, QJ Hong, ZP Liu
Journal of Catalysis 263 (1), 114-122, 2009
2392009
Evaluation of individual and ensemble probabilistic forecasts of COVID-19 mortality in the United States
EY Cramer, EL Ray, VK Lopez, J Bracher, A Brennen, ...
Proceedings of the National Academy of Sciences 119 (15), e2113561119, 2022
2182022
Prediction of the material with highest known melting point from ab initio molecular dynamics calculations
QJ Hong, A Van De Walle
Physical Review B 92 (2), 020104, 2015
1812015
The united states covid-19 forecast hub dataset
EY Cramer, Y Huang, Y Wang, EL Ray, M Cornell, J Bracher, A Brennen, ...
Scientific data 9 (1), 462, 2022
992022
Evaluation of individual and ensemble probabilistic forecasts of COVID-19 mortality in the US
EY Cramer, EL Ray, VK Lopez, J Bracher, A Brennen, ...
Medrxiv, 2021.02. 03.21250974, 2021
912021
Mechanism of CO2 hydrogenation over Cu/ZrO2 (212) interface from first-principles kinetics Monte Carlo simulations
QJ Hong, ZP Liu
Surface science 604 (21-22), 1869-1876, 2010
862010
Carbides and nitrides of zirconium and hafnium
SV Ushakov, A Navrotsky, QJ Hong, A van de Walle
Materials 12 (17), 2728, 2019
822019
Software tools for high-throughput CALPHAD from first-principles data
A van de Walle, R Sun, QJ Hong, S Kadkhodaei
Calphad 58, 70-81, 2017
792017
Solid-liquid coexistence in small systems: A statistical method to calculate melting temperatures
QJ Hong, A Van De Walle
The Journal of chemical physics 139 (9), 2013
722013
The free energy of mechanically unstable phases
A Van De Walle, Q Hong, S Kadkhodaei, R Sun
Nature communications 6 (1), 7559, 2015
712015
Combined computational and experimental investigation of high temperature thermodynamics and structure of cubic ZrO2 and HfO2
QJ Hong, SV Ushakov, D Kapush, CJ Benmore, RJK Weber, ...
Scientific reports 8 (1), 14962, 2018
512018
Free energy calculation of mechanically unstable but dynamically stabilized bcc titanium
S Kadkhodaei, QJ Hong, A Van De Walle
Physical Review B 95 (6), 064101, 2017
492017
Combined computational and experimental investigation of the refractory properties of La2Zr2O7
QJ Hong, SV Ushakov, A Navrotsky, A Van De Walle
Acta Materialia 84, 275-282, 2015
432015
A user guide for SLUSCHI: solid and liquid in ultra small coexistence with hovering interfaces
QJ Hong, A Van De Walle
Calphad 52, 88-97, 2016
372016
Melting temperature prediction using a graph neural network model: From ancient minerals to new materials
QJ Hong, SV Ushakov, A van de Walle, A Navrotsky
Proceedings of the National Academy of Sciences 119 (36), e2209630119, 2022
362022
Equation of state of solid, liquid and gaseous tantalum from first principles
L Miljacic, S Demers, QJ Hong, A Van De Walle
Calphad 51, 133-143, 2015
302015
Theoretical prediction of high melting temperature for a Mo–Ru–Ta–W HCP multiprincipal element alloy
QJ Hong, J Schroers, D Hofmann, S Curtarolo, M Asta, A van de Walle
npj Computational Materials 7 (1), 1, 2021
282021
Re-entrant melting of sodium, magnesium, and aluminum: General trend
QJ Hong, A van de Walle
Physical Review B 100, 140102, 2019
222019
A combined experimental and theoretical study of enthalpy of phase transition and fusion of yttria above 2000 C using “drop-n-catch” calorimetry and first-principles calculation
D Kapush, SV Ushakov, A Navrotsky, QJ Hong, H Liu, A van de Walle
Acta Materialia 124, 204-209, 2017
212017
Direct first-principles chemical potential calculations of liquids
QJ Hong, A Van De Walle
The Journal of chemical physics 137 (9), 2012
192012
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Articles 1–20