Ali Alavi


Born 10 May 1966 in Tehran, Iran.

Director, Max Planck Institute for Solid State Research, Stuttgart, Germany, and Professor of Theoretical Chemistry, University of Cambridge

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Fellow of the Royal Society (2015); Fellow of the Royal Society of Chemistry (2014); Honorary Professor, University of Stuttgart (2014); Scientific Member of the Max Planck Society (2013); Leadership Fellow of the Engineering and Physical Sciences Research Council (2011); Junior Research Fellow, Trinity College Cambridge (1990)

Author of:

more than 120 papers in theoretical chemistry, physical chemistry, condensed matter physics, and surface and interface science.

Important Contributions:

  • Stochastic methods in quantum chemistry and methods to overcome the Fermion sign problem in the context of ground-state and excited-state electronic structure calculations. Development of the Full Configuration Interaction Quantum Monte Carlo (FCIQMC) method, together with the Initiator method. Calculation of reduced density matrices and properties using FCIQMC. Unbiased stochastic calculation of excited states. Stochastic multic-onfigurational self-consitent field theory. Application of Full CI methods to the Uniform Electron Gas and to Solids. Diagrammatic Monte Carlo methods. Path resummation methods in Hilbert space. Development of density functional methods for the application of external electric fields to periodic systems. Field Evaporation at strong electric fields. Finite temperature density functional theory. Constrained path methods for reaction mechanisms on surfaces and heterogeneous catalysis. CO oxidation reactions on transition metal surfaces. Metal oxide and polar interfaces.