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Qijun Hong
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Year
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
1982009
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
1242015
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
108*2022
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
772010
The free energy of mechanically unstable phases
A Van De Walle, Q Hong, S Kadkhodaei, R Sun
Nature communications 6 (1), 1-6, 2015
562015
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
532017
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), 094114, 2013
522013
Carbides and nitrides of zirconium and hafnium
SV Ushakov, A Navrotsky, QJ Hong, A van de Walle
Materials 12 (17), 2728, 2019
412019
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
392017
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
362015
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), 1-11, 2018
232018
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), 1-15, 2022
212022
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
212015
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
182016
Direct first-principles chemical potential calculations of liquids
QJ Hong, A Van De Walle
The Journal of chemical physics 137 (9), 094114, 2012
162012
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
132017
Re-entrant melting of sodium, magnesium, and aluminum: General trend
QJ Hong, A van de Walle
Physical Review B 100, 140102, 2019
122019
Ab initio calculation of anisotropic interfacial excess free energies
A van de Walle, Q Hong, L Miljacic, CB Gopal, S Demers, G Pomrehn, ...
Physical Review B 89 (18), 184101, 2014
112014
Energetics of melting of Yb2O3 and Lu2O3 from drop and catch calorimetry and first principles computations
M Fyhrie, QJ Hong, D Kapush, SV Ushakov, H Liu, A van de Walle, ...
The Journal of Chemical Thermodynamics 132, 405-410, 2019
102019
Epicycle method for elasticity limit calculations
A Van De Walle, S Kadkhodaei, R Sun, QJ Hong
Physical Review B 95 (14), 144113, 2017
102017
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