☰ Chemistry Tree

Axel van de Walle

Affiliations:	2006-2011	Applied Physics and Materials Science	California Institute of Technology, Pasadena, CA
	2011-	Engineering	Brown University, Providence, RI

Website:

http://www.brown.edu/Departments/Engineering/Labs/avdw/

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"Axel van de Walle"

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Parents

Gerbrand Ceder	grad student	1995-2000	MIT
Mark Asta	post-doc		UC Berkeley

Children

Qi-Jun Hong	grad student		(Physics Tree)
Pratyush Tiwary	grad student	2012	Caltech
Gregory Pomrehn	grad student	2013	Caltech
Steven Demers	grad student	2014	Caltech
Sara Kadkhodaei	grad student	2011-2016	University of Illinois, Chicago

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Publications

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Hong QJ, Ushakov SV, van de Walle A, et al. (2022) Melting temperature prediction using a graph neural network model: From ancient minerals to new materials. Proceedings of the National Academy of Sciences of the United States of America. 119: e2209630119
Cramer EY, Ray EL, Lopez VK, et al. (2022) Evaluation of individual and ensemble probabilistic forecasts of COVID-19 mortality in the United States. Proceedings of the National Academy of Sciences of the United States of America. 119: e2113561119
Ushakov SV, Navrotsky A, Hong QJ, et al. (2019) Carbides and Nitrides of Zirconium and Hafnium. Materials (Basel, Switzerland). 12
Kadkhodaei S, van de Walle A. (2019) A simple local expression for the prefactor in transition state theory. The Journal of Chemical Physics. 150: 144105
Hong QJ, Ushakov SV, Kapush D, et al. (2018) Combined computational and experimental investigation of high temperature thermodynamics and structure of cubic ZrO and HfO. Scientific Reports. 8: 14962
Hong QJ, Van De Walle A. (2016) A user guide for SLUSCHI: Solid and Liquid in Ultra Small Coexistence with Hovering Interfaces Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 52: 88-97
de Jong M, Kacher J, Sluiter MH, et al. (2015) Electronic Origins of Anomalous Twin Boundary Energies in Hexagonal Close Packed Transition Metals. Physical Review Letters. 115: 065501
van de Walle A, Hong Q, Kadkhodaei S, et al. (2015) The free energy of mechanically unstable phases. Nature Communications. 6: 7559
Hong QJ, Van De Walle A. (2015) Prediction of the material with highest known melting point from ab initio molecular dynamics calculations Physical Review B - Condensed Matter and Materials Physics. 92
Van De Walle A, Hong Q, Kadkhodaei S, et al. (2015) The free energy of mechanically unstable phases Nature Communications. 6

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