Axel van de Walle

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M. AstaUniversity of California, Sandia National Laboratories, Northwestern UniversityVerifisert e-postadresse på berkeley.edu
Gerbrand CederProfessor of Materials Science and EngineeringVerifisert e-postadresse på berkeley.edu
Qijun HongAssistant Professor, Arizona State UniversityVerifisert e-postadresse på asu.edu
Pratyush TiwaryMillard and Lee Alexander Professor in Chemical Physics, University of Maryland, College ParkVerifisert e-postadresse på umd.edu
Zi-Kui Liu, Dorothy Pate Enright Profes...The Pennsylvania State UniversityVerifisert e-postadresse på psu.edu
Sergey V. UshakovArizona State UniversityVerifisert e-postadresse på asu.edu
Maarten de JongSpace Exploration TechnologiesVerifisert e-postadresse på spacex.com
Dongwon ShinSenior R&D Staff Member of Materials Science and Technology Division, Oak Ridge National LaboratoryVerifisert e-postadresse på ornl.gov
Raymundo ArroyaveProfessor of Materials Science and Engineering, Mechanical Engineering. Texas A&MVerifisert e-postadresse på tamu.edu
Gregory S. PomrehnPhD, Materials Science, California Institute of TechnologyVerifisert e-postadresse på caltech.edu
Sara KadkhodaeiAssistant Professor, University of Illinois ChicagoVerifisert e-postadresse på uic.edu
Ruoshi SunLead Scientist of Scientific Computing, University of VirginiaVerifisert e-postadresse på alum.mit.edu
Yi WangPenn StateVerifisert e-postadresse på psu.edu
Curtarolo, StefanoDuke UniversityVerifisert e-postadresse på nietzsche.mems.duke.edu
G. Jeffrey SnyderNorthwestern UniversityVerifisert e-postadresse på northwestern.edu
Long-Qing ChenPenn StateVerifisert e-postadresse på psu.edu
Dane MorganUniversity of Wisconsin, Materials ScienceVerifisert e-postadresse på wisc.edu
Chris WolvertonProfessor of Materials Science and Eng., Northwestern UniversityVerifisert e-postadresse på northwestern.edu
(Jefferson) Zhe LiuProfessor and Australian Future Fellow, The University of MelbourneVerifisert e-postadresse på unimelb.edu.au
Denys O. KapushSenior research fellow, I.M. Frantsevich Institute for Problems of Materials ScienceVerifisert e-postadresse på ipms.kyiv.ua

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Axel van de Walle

Professor of Engineering, Brown University

Verifisert e-postadresse på brown.edu - Startside

computational modeling materials design computational materials science ab initio calculations thermodynamics


Tittel Sorter etter sitater Sorter etter år Sorter etter tittel	Sitert av Sitert av	År
The alloy theoretic automated toolkit: A user guide A Van De Walle, M Asta, G Ceder Calphad 26 (4), 539-553, 2002	1662	2002
Efficient stochastic generation of special quasirandom structures A van de Walle, P Tiwary, M de Jong, DL Olmsted, M Asta, A Dick, D Shin, ... Calphad 42, 13-18, 2013	1426	2013
Automating first-principles phase diagram calculations A van de Walle, G Ceder Journal of Phase Equilibria 23 (4), 348, 2002	1074	2002
Multicomponent multisublattice alloys, nonconfigurational entropy and other additions to the Alloy Theoretic Automated Toolkit A Van De Walle Calphad 33 (2), 266-278, 2009	961	2009
The effect of lattice vibrations on substitutional alloy thermodynamics A van de Walle and Gerbrand Ceder Reviews of Modern Physics 74, 11-45, 2002	786	2002
Self-driven lattice-model Monte Carlo simulations of alloy thermodynamic properties and phase diagrams A Van De Walle, M Asta Modelling and Simulation in Materials Science and Engineering 10 (5), 521, 2002	434	2002
Method for locating low-energy solutions within B Meredig, A Thompson, HA Hansen, C Wolverton, A Van de Walle Physical Review B—Condensed Matter and Materials Physics 82 (19), 195128, 2010	306	2010
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	258	2022
Alloy phase diagrams H Okamoto, ME Schlesinger, EM Mueller Asm International, 2016	213	2016
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	202	2015
CALPHAD—Comput A Van de Walle, M Asta, G Ceder Coupling Phase Diagr. Thermochem 26, 539, 2002	197	2002
Defect‐Controlled Electronic Properties in AZn2Sb2 Zintl Phases GS Pomrehn, A Zevalkink, WG Zeier, A Van De Walle, GJ Snyder Angewandte Chemie International Edition 53 (13), 3422-3426, 2014	178	2014
Correcting overbinding in local-density-approximation calculations A Van de Walle, G Ceder Physical Review B 59 (23), 14992, 1999	178	1999
First-principles calculations of the structural and thermodynamic properties of bcc, fcc and hcp solid solutions in the Al–TM (TM= Ti, Zr and Hf) systems: a comparison of … G Ghosh, A Van de Walle, M Asta Acta Materialia 56 (13), 3202-3221, 2008	174	2008
Structure, energetics, and mechanical stability of Fe-Cu bcc alloys from first-principles calculations JZ Liu, A Van De Walle, G Ghosh, M Asta Physical Review B—Condensed Matter and Materials Physics 72 (14), 144109, 2005	173	2005
Thermodynamic properties of binary hcp solution phases from special quasirandom structures D Shin, R Arróyave, ZK Liu, A Van de Walle Physical Review B—Condensed Matter and Materials Physics 74 (2), 024204, 2006	168	2006
First-principles computation of the vibrational entropy of ordered and disordered Ni 3 Al A Van de Walle, G Ceder, UV Waghmare Physical review letters 80 (22), 4911, 1998	153	1998
A complete representation of structure–property relationships in crystals A Van de Walle Nature materials 7 (6), 455-458, 2008	147	2008
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	118	2022
First-principles study of ternary fcc solution phases from special quasirandom structures D Shin, A Van De Walle, Y Wang, ZK Liu Physical Review B—Condensed Matter and Materials Physics 76 (14), 144204, 2007	97	2007

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