ali alavi
ali alavi
max planck institute for solid state research, and department of chemistry, university of cambridge
Verified email at cam.ac.uk
Title
Cited by
Cited by
Year
CO Oxidation on Pt(111): An Ab Initio Density Functional Theory Study
A Alavi, P Hu, T Deutsch, PL Silvestrelli, J Hutter
Physical Review Letters 80 (16), 3650, 1998
6341998
Catalytic role of gold in gold-based catalysts: A density functional theory study on the CO oxidation on gold
ZP Liu, P Hu, A Alavi
Journal of the American Chemical Society 124 (49), 14770-14779, 2002
5582002
Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space
GH Booth, AJW Thom, A Alavi
The Journal of chemical physics 131 (5), 054106, 2009
4862009
Identification of general linear relationships between activation energies and enthalpy changes for dissociation reactions at surfaces
A Michaelides, ZP Liu, CJ Zhang, A Alavi, DA King, P Hu
Journal of the American Chemical Society 125 (13), 3704-3705, 2003
4242003
Towards an exact description of electronic wavefunctions in real solids
GH Booth, A Grüneis, G Kresse, A Alavi
Nature 493 (7432), 365-370, 2013
4112013
Ab initio molecular dynamics with excited electrons
A Alavi, J Kohanoff, M Parrinello, D Frenkel
Physical review letters 73 (19), 2599, 1994
2651994
Ab initio Molecular Dynamics Simulation of Laser Melting of Silicon
PL Silvestrelli, A Alavi, M Parrinello, D Frenkel
Physical review letters 77 (15), 3149, 1996
2541996
Communications: Survival of the fittest: Accelerating convergence in full configuration-interaction quantum Monte Carlo
D Cleland, GH Booth, A Alavi
The Journal of chemical physics 132 (4), 041103, 2010
2522010
Different surface chemistries of water on Ru {0001}: From monomer adsorption to partially dissociated bilayers
A Michaelides, A Alavi, DA King
Journal of the American Chemical Society 125 (9), 2746-2755, 2003
2222003
First-principles calculations of the ideal cleavage energy of bulk niobium (111)/α-alumina (0001) interfaces
IG Batirev, A Alavi, MW Finnis, T Deutsch
Physical review letters 82 (7), 1510, 1999
2061999
Insight into H 2 O-ice adsorption and dissociation on metal surfaces from first-principles simulations
A Michaelides, A Alavi, DA King
Physical Review B 69 (11), 113404, 2004
2032004
Equilibrium and adhesion of Nb/sapphire: The effect of oxygen partial pressure
IG Batyrev, A Alavi, MW Finnis
Physical Review B 62 (7), 4698, 2000
1852000
Ab initio simulation of charged slabs at constant chemical potential
AY Lozovoi, A Alavi, J Kohanoff, RM Lynden-Bell
The Journal of Chemical Physics 115 (4), 1661-1669, 2001
1802001
Ab initio calculations on the Al 2 O 3 (0001) surface
I Batyrev, A Alavi, MW Finnis
Faraday Discussions 114, 33-43, 1999
1551999
Polymers near metal surfaces: Selective adsorption and global conformations
L Delle Site, CF Abrams, A Alavi, K Kremer
Physical review letters 89 (15), 156103, 2002
1472002
Resolution of an Ancient Surface Science Anomaly: Work Function Change Induced by N Adsorption on
A Michaelides, P Hu, MH Lee, A Alavi, DA King
Physical review letters 90 (24), 246103, 2003
1462003
Semistochastic heat-bath configuration interaction method: Selected configuration interaction with semistochastic perturbation theory
S Sharma, AA Holmes, G Jeanmairet, A Alavi, CJ Umrigar
Journal of chemical theory and computation 13 (4), 1595-1604, 2017
1352017
Reconstruction of charged surfaces: General trends and a case study of Pt (110) and Au (110)
AY Lozovoi, A Alavi
Physical Review B 68 (24), 245416, 2003
1332003
Structures and thermodynamic phase transitions for oxygen and silver oxide phases on Ag {1 1 1}
A Michaelides, ML Bocquet, P Sautet, A Alavi, DA King
Chemical physics letters 367 (3-4), 344-350, 2003
1302003
The oxidation of NiAl: What can we learn from ab initio calculations?
MW Finnis, AY Lozovoi, A Alavi
Annu. Rev. Mater. Res. 35, 167-207, 2005
1272005
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Articles 1–20