Axel van de Walle
Materials Chemistry · 2001–2015
A researcher in the Science corpus: 10 papers; trusts 8 researchers and is trusted by 19 researchers here, as inferred from the citation graph.
Subfields
- Materials Chemistry — 22 citations into it; #1,466 of 11,513 by trust here, #3,664 by citations
- Mechanical Engineering — 16 citations into it; #690 of 8,300 by trust here, #2,346 by citations
- Atomic and Molecular Physics, and Optics — 6 citations into it; #1,264 of 7,135 by trust here, #1,884 by citations
- Aerospace Engineering — 5 citations into it
Whom Axel van de Walle trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
Who trusts Axel van de Walle overall
- Shijun Zhao
- Yoav Lederer
- Mark Asta
- Cormac Toher
- G. Malcolm Stocks
- Zi-kui Liu
- Gerbrand Ceder
- Pratyush Tiwary
- Kenneth S. Vecchio
- Stefano Curtarolo
Papers from Axel van de Walle's perspective
Ordered by how strongly the researchers Axel van de Walle trusts endorse each paper. Same corpus, a different order for every researcher.
- Algorithm for Generating Derivative Structures
- Automating First-Principles Phase Diagram Calculations
- First-principles prediction of disordering tendencies in pyrochlore oxides
- Generation and performance of special quasirandom structures for studying the elastic properties of random alloys: Application to Al-Ti
- Generalized Gradient Approximation Made Simple.
- Multicomponent multisublattice alloys, nonconfigurational entropy and other additions to the Alloy Theoretic Automated Toolkit
- Configurational thermodynamics of alloys from first principles: effective cluster interactions
- A unified formulation of the constant temperature molecular dynamics methods
- UHTCs: Ultra-High Temperature Ceramic Materials for Extreme Environment Applications
- Understanding Molecular Simulation
Their papers
- Automating First-Principles Phase Diagram Calculations (2002) — 871 citations
- The effect of lattice vibrations on substitutional alloy thermodynamics (2001) — 609 citations
- The Alloy Theoretic Automated Toolkit: A User Guide (2002) — 1,307 citations
- Self-driven lattice-model Monte Carlo simulations of alloy thermodynamic properties and phase diagrams (2002) — 322 citations
- Multicomponent multisublattice alloys, nonconfigurational entropy and other additions to the Alloy Theoretic Automated Toolkit (2009) — 896 citations
- Efficient stochastic generation of special quasirandom structures (2013) — 1,448 citations
- Prediction of the material with highest known melting point from ab initio molecular dynamics calculations (2015) — 149 citations
- Method for locating low-energy solutions within DFT+U (2010) — 197 citations
- 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 (2008) — 148 citations
- Thermodynamic properties of binary hcp solution phases from special quasirandom structures (2006) — 135 citations