Electron affinity of liquid water AP Gaiduk, TA Pham, M Govoni, F Paesani, G Galli Nature communications 9 (1), 247, 2018 | 146 | 2018 |
Local and Global Effects of Dissolved Sodium Chloride on the Structure of Water AP Gaiduk, G Galli The Journal of Physical Chemistry Letters 8 (7), 1496-1502, 2017 | 111 | 2017 |
Density and compressibility of liquid water and ice from first-principles simulations with hybrid functionals AP Gaiduk, F Gygi, G Galli The Journal of Physical Chemistry Letters 6, 2902, 2015 | 108 | 2015 |
Chemical bath deposition of PbS nanocrystals: Effect of substrate AP Gaiduk, PI Gaiduk, AN Larsen Thin Solid Films 516 (12), 3791, 2008 | 103 | 2008 |
Structural and electronic properties of aqueous NaCl solutions from ab initio molecular dynamics simulations with hybrid density functionals AP Gaiduk, C Zhang, F Gygi, G Galli Chemical Physics Letters, 2014 | 88 | 2014 |
How to tell when a model Kohn–Sham potential is not a functional derivative AP Gaiduk, VN Staroverov The Journal of Chemical Physics 131 (4), 044107, 2009 | 87 | 2009 |
Photoelectron spectra of aqueous solutions from first principles AP Gaiduk, M Govoni, R Seidel, JH Skone, B Winter, G Galli Journal of the American Chemical Society 138 (22), 6912-6915, 2016 | 75 | 2016 |
Reconstruction of Density Functionals from Kohn− Sham Potentials by Integration along Density Scaling Paths AP Gaiduk, SK Chulkov, VN Staroverov Journal of Chemical Theory and Computation 5 (4), 699-707, 2009 | 49 | 2009 |
First-Principles Simulations of Liquid Water Using a Dielectric-Dependent Hybrid Functional AP Gaiduk, JA Gustafson, F Gygi, G Galli The journal of Physical Chemistry Letters, 2018 | 48 | 2018 |
Improved Electronic Excitation Energies from Shape-Corrected<? format?> Semilocal Kohn-Sham Potentials AP Gaiduk, DS Firaha, VN Staroverov Physical Review Letters 108 (25), 253005, 2012 | 44 | 2012 |
Virial exchange energies from model exact-exchange potentials AP Gaiduk, VN Staroverov The Journal of Chemical Physics 128 (20), 204101, 2008 | 41 | 2008 |
Removal of basis-set artifacts in Kohn–Sham potentials recovered from electron densities AP Gaiduk, IG Ryabinkin, VN Staroverov Journal of chemical theory and computation 9 (9), 3959-3964, 2013 | 40 | 2013 |
Efficient construction of exchange and correlation potentials by inverting the Kohn–Sham equations AA Kananenka, SV Kohut, AP Gaiduk, IG Ryabinkin, VN Staroverov The Journal of Chemical Physics 139 (7), 2013 | 40 | 2013 |
Self-interaction correction scheme for approximate Kohn-Sham potentials AP Gaiduk, D Mizzi, VN Staroverov Physical Review A—Atomic, Molecular, and Optical Physics 86 (5), 052518, 2012 | 24 | 2012 |
Construction of integrable model Kohn-Sham potentials by analysis of the structure of functional derivatives AP Gaiduk, VN Staroverov Physical Review A—Atomic, Molecular, and Optical Physics 83 (1), 012509, 2011 | 20 | 2011 |
Communication: Explicit construction of functional derivatives in potential-driven density-functional theory AP Gaiduk, VN Staroverov The Journal of chemical physics 133, 101104, 2010 | 19 | 2010 |
A generalized gradient approximation for exchange derived from the model potential of van Leeuwen and Baerends AP Gaiduk, VN Staroverov The Journal of chemical physics 136, 064116, 2012 | 18 | 2012 |
Validating first-principles molecular dynamics calculations of oxide/water interfaces with x-ray reflectivity data KJ Harmon, K Letchworth-Weaver, AP Gaiduk, F Giberti, F Gygi, ... Physical Review Materials 4 (11), 113805, 2020 | 14 | 2020 |
Modified Slater exchange potential with correct uniform electron gas limit AP Gaiduk, IG Ryabinkin, VN Staroverov Canadian Journal of Chemistry 93 (1), 91, 2015 | 5 | 2015 |
THEORY OF MODEL KOHN–SHAM POTENTIALS AND ITS APPLICATIONS (Thesis format: Integrated Article) AP Gaiduk The University of Western Ontario, 2013 | 4* | 2013 |