Ali Alavi

OpenMolcas: From Source Code to Insight

Ignacio Fdez. Galván, Morgane Vacher, Ali Alavi et al. · Journal of Chemical Theory and Computation · 2019 · 1.1K citations · Full text

Natural Sciences, Chemistry, Physics +17

Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space

George H. Booth, Alex J. W. Thom, Ali Alavi · The Journal of Chemical Physics · 2009 · 849 citations

Natural Sciences, Computer Science, Physics +17

CO Oxidation on Pt(111): An<i>Ab Initio</i>Density Functional Theory Study

Ali Alavi, P. Hu, Thierry Deutsch et al. · Physical Review Letters · 1998 · 774 citations

Natural Sciences, Chemistry, Materials Science +17

Identification of General Linear Relationships between Activation Energies and Enthalpy Changes for Dissociation Reactions at Surfaces

Angelos Michaelides, Zhi‐Pan Liu, C. J. Zhang et al. · Journal of the American Chemical Society · 2003 · 643 citations

Natural Sciences, Chemistry, Catalysis +16

Towards an exact description of electronic wavefunctions in real solids

George H. Booth, Andreas Grüneis, Georg Kresse et al. · Nature · 2012 · 582 citations · Full text

Natural Sciences, Physics, Condensed Matter Physics +15