Axel van de Walle

Efficient stochastic generation of special quasirandom structures

Axel van de Walle, Pratyush Tiwary, Maarten de Jong et al. · Calphad · 2013 · 1.6K citations

Computing, Computer Science, Mathematics +9

Multicomponent multisublattice alloys, nonconfigurational entropy and other additions to the Alloy Theoretic Automated Toolkit

Axel van de Walle · Calphad · 2009 · 977 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +15

Automating first-principles phase diagram calculations

Axel van de Walle, Gerbrand Ceder · Journal of Phase Equilibria and Diffusion · 2002 · 946 citations

Natural Sciences, Chemistry, Materials Science +11

The effect of lattice vibrations on substitutional alloy thermodynamics

Axel van de Walle, Gerbrand Ceder · Reviews of Modern Physics · 2002 · 735 citations · Full text

Natural Sciences, Materials Science, Physics +17

Self-driven lattice-model Monte Carlo simulations of alloy thermodynamic properties and phase diagrams

Axel van de Walle, Mark Asta · Modelling and Simulation in Materials Science and Engineering · 2002 · 355 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +17