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van de Walle, Axel
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ResearcherID: L-5676-2013
URL: http://www.researcherid.com/rid/L-5676-2013
Subject: Chemistry; Crystallography; Energy & Fuels; Engineering; Materials Science; Metallurgy & Metallurgical Engineering; Physics
ORCID: http://orcid.org/0000-0002-3415-1494
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This list contains papers that I have authored.

publication(s)  
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1.  Title: The Alloy Theoretic Automated Toolkit: A user guide
 Author(s): van de Walle, A; Asta, M; Ceder, G
 Source: Calphad-Computer Coupling of Phase Diagrams and Thermochemistry Volume: 26 Issue: 4 Pages: 539-553 Published: DEC 2002
 Times Cited: 415
 DOI: 10.1016/S0364-5916(02)80006-2
added
30-Oct-13
2.  Title: Automating first-principles phase diagram calculations
 Author(s): van de Walle, A; Ceder, G
 Source: Journal of Phase Equilibria Volume: 23 Issue: 4 Pages: 348-359 Published: AUG 2002
 Times Cited: 387
added
30-Oct-13
3.  Title: The effect of lattice vibrations on substitutional alloy thermodynamics
 Author(s): van de Walle, A; Ceder, G
 Source: Reviews of Modern Physics Volume: 74 Issue: 1 Pages: 11-45 Published: JAN 2002
 Times Cited: 386
 DOI: 10.1103/RevModPhys.74.11
added
30-Oct-13
4.  Title: Multicomponent multisublattice alloys, nonconfigurational entropy and other additions to the Alloy Theoretic Automated Toolkit
 Author(s): van de Walle, Axel
 Source: Calphad-Computer Coupling of Phase Diagrams and Thermochemistry Volume: 33 Issue: 2 Pages: 266-278 Published: JUN 2009
 Times Cited: 151
 DOI: 10.1016/j.calphad.2008.12.005
added
30-Oct-13
5.  Title: Self-driven lattice-model Monte Carlo simulations of alloy thermodynamic properties and phase diagrams
 Author(s): van de Walle, A; Asta, M
 Source: Modelling and Simulation in Materials Science and Engineering Volume: 10 Issue: 5 Pages: 521-538 Published: SEP 2002
 Times Cited: 124
added
30-Oct-13
6.  Title: Method for locating low-energy solutions within DFT plus U
 Author(s): Meredig, B.; Thompson, A.; Hansen, H. A.; et al.
 Source: Physical Review B Volume: 82 Issue: 19 Published: NOV 22 2010
 Times Cited: 108
 DOI: 10.1103/PhysRevB.82.195128
added
30-Oct-13
7.  Title: Efficient stochastic generation of special quasirandom structures
 Author(s): van de Walle, A.; Tiwary, P.; de Jong, M.; et al.
 Source: Calphad-Computer Coupling of Phase Diagrams and Thermochemistry Volume: 42 Pages: 13-18 Published: SEP 2013
 Times Cited: 98
 DOI: 10.1016/j.calphad.2013.06.006
added
30-Oct-13
8.  Title: First-principles computation of the vibrational entropy of ordered and disordered Ni3Al
 Author(s): van de Walle, A; Ceder, G; Waghmare, UV
 Source: Physical Review Letters Volume: 80 Issue: 22 Pages: 4911-4914 Published: JUN 1 1998
 Times Cited: 90
 DOI: 10.1103/PhysRevLett.80.4911
added
30-Oct-13
9.  Title: Structure, energetics, and mechanical stability of Fe-Cu bcc alloys from first-principles calculations
 Author(s): Liu, JZ; van de Walle, A; Ghosh, G; et al.
 Source: Physical Review B Volume: 72 Issue: 14 Published: OCT 2005
 Times Cited: 86
 DOI: 10.1103/PhysRevB.72.144109
added
30-Oct-13
10.  Title: 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 cluster expansion and supercell methods
 Author(s): Ghosh, G.; van de Walle, A.; Asta, M.
 Source: Acta Materialia Volume: 56 Issue: 13 Pages: 3202-3221 Published: AUG 2008
 Times Cited: 72
 DOI: 10.1016/j.actamat.2008.03.006
added
30-Oct-13
publication(s)  
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