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

Software Maintenance, Engineering, Software Engineering +23

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 · 820 citations

Quantum Dynamic, Engineering, Many-body Quantum Physic +19

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 · 758 citations

Materials Science, Inorganic Chemistry, Transition State +10

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 · 631 citations

Engineering, Computational Chemistry, Dissociation Reactions +23

Towards an exact description of electronic wavefunctions in real solids

George H. Booth, Andreas Grüneis, Georg Kresse et al. · Nature · 2012 · 563 citations · Full text

Materials Science, Quantum Science, Real Solids +11