British theoretical chemist
Ali Alavi FRS[5] (born 10 May 1966) is a professor of theoretical chemistry in the Department of Chemistry at the University of Cambridge and a Director of the Max Planck Institute for Solid State Research in Stuttgart.[1][6][7][8][9][10][11]
- ^ a b Cite error: The named reference
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- ^ "International Academy of Quantum Molecular Science". www.iaqms.org. Retrieved 11 December 2022.
- ^ Cleland, Deidre; Booth, George H.; Alavi, Ali (2010). "Communications: Survival of the fittest: Accelerating convergence in full configuration-interaction quantum Monte Carlo". The Journal of Chemical Physics. 132 (4): 041103. Bibcode:2010JChPh.132d1103C. doi:10.1063/1.3302277. PMID 20113011.
- ^ Booth, George H.; Thom, Alex J. W.; Alavi, Ali (2009). "Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space" (PDF). The Journal of Chemical Physics. 131 (5): 054106. Bibcode:2009JChPh.131e4106B. doi:10.1063/1.3193710. PMID 19673550.
- ^ Anon (2015). "Professor Ali Alavi FRS". London: Royal Society. Archived from the original on 22 September 2015.
- ^ Alavi, A.; Hu, P.; Deutsch, T.; Silvestrelli, P. L.; Hutter, J. R. (1998). "CO Oxidation on Pt(111): An Ab Initio Density Functional Theory Study". Physical Review Letters. 80 (16): 3650. Bibcode:1998PhRvL..80.3650A. doi:10.1103/PhysRevLett.80.3650.
- ^ Ali Alavi's publications indexed by the Scopus bibliographic database. (subscription required)
- ^ Liu, Z. P.; Hu, P.; Alavi, A. (2002). "Catalytic Role of Gold in Gold-Based Catalysts: A Density Functional Theory Study on the CO Oxidation on Gold". Journal of the American Chemical Society. 124 (49): 14770–9. doi:10.1021/ja0205885. PMID 12465990.
- ^ Michaelides, A.; Liu, Z. -P.; Zhang, C. J.; Alavi, A.; King, D. A.; Hu, P. (2003). "Identification of General Linear Relationships between Activation Energies and Enthalpy Changes for Dissociation Reactions at Surfaces". Journal of the American Chemical Society. 125 (13): 3704–5. CiteSeerX 10.1.1.474.783. doi:10.1021/ja027366r. PMID 12656593.
- ^ Booth, G. H.; Grüneis, A; Kresse, G; Alavi, Ali (2013). "Towards an exact description of electronic wavefunctions in real solids". Nature. 493 (7432): 365–70. Bibcode:2013Natur.493..365B. doi:10.1038/nature11770. PMID 23254929.
- ^ Alavi, A. (1990). "Evidence for a Kosterlitz-Thouless transition in a simulation of CD4 adsorbed on MgO". Physical Review Letters. 64 (19): 2289–2292. Bibcode:1990PhRvL..64.2289A. doi:10.1103/PhysRevLett.64.2289. PMID 10041636.