Alex P. Gaiduk - Publications

2008-2013 University of Western Ontario, London, Ontario, Canada 
 2014-2018 Molecular Engineering University of Chicago, Chicago, IL 

16 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 Gaiduk AP, Gustafson JA, Gygi F, Galli G. First-Principles Simulations of Liquid Water Using a Dielectric-Dependent Hybrid Functional. The Journal of Physical Chemistry Letters. PMID 29768015 DOI: 10.1021/Acs.Jpclett.8B01017  0.57
2018 Gaiduk AP, Pham TA, Govoni M, Paesani F, Galli G. Electron affinity of liquid water. Nature Communications. 9: 247. PMID 29339731 DOI: 10.1038/S41467-017-02673-Z  0.515
2017 Gaiduk AP, Galli G. Local and Global Effects of Dissolved Sodium Chloride on the Structure of Water. The Journal of Physical Chemistry Letters. PMID 28267335 DOI: 10.1021/Acs.Jpclett.7B00239  0.467
2016 Gaiduk AP, Govoni M, Seidel R, Skone J, Winter B, Galli G. Photoelectron spectra of aqueous solutions from first principles. Journal of the American Chemical Society. PMID 27105336 DOI: 10.1021/Jacs.6B00225  0.583
2015 Gaiduk AP, Gygi F, Galli G. Density and Compressibility of Liquid Water and Ice from First-Principles Simulations with Hybrid Functionals. The Journal of Physical Chemistry Letters. 6: 2902-8. PMID 26267178 DOI: 10.1021/Acs.Jpclett.5B00901  0.537
2014 Gaiduk AP, Zhang C, Gygi F, Galli G. Structural and electronic properties of aqueous NaCl solutions from ab initio molecular dynamics simulations with hybrid density functionals Chemical Physics Letters. 604: 89-96. DOI: 10.1016/J.Cplett.2014.04.037  0.592
2013 Gaiduk AP, Ryabinkin IG, Staroverov VN. Removal of Basis-Set Artifacts in Kohn-Sham Potentials Recovered from Electron Densities. Journal of Chemical Theory and Computation. 9: 3959-64. PMID 26592391 DOI: 10.1021/Ct4004146  0.721
2013 Kananenka AA, Kohut SV, Gaiduk AP, Ryabinkin IG, Staroverov VN. Efficient construction of exchange and correlation potentials by inverting the Kohn-Sham equations. The Journal of Chemical Physics. 139: 074112. PMID 23968077 DOI: 10.1063/1.4817942  0.729
2012 Gaiduk AP, Firaha DS, Staroverov VN. Improved electronic excitation energies from shape-corrected semilocal Kohn-Sham potentials. Physical Review Letters. 108: 253005. PMID 23004596 DOI: 10.1103/Physrevlett.108.253005  0.726
2012 Gaiduk AP, Staroverov VN. A generalized gradient approximation for exchange derived from the model potential of van Leeuwen and Baerends. The Journal of Chemical Physics. 136: 064116. PMID 22360178 DOI: 10.1063/1.3684261  0.709
2012 Gaiduk AP, Mizzi D, Staroverov VN. Self-interaction correction scheme for approximate Kohn-Sham potentials Physical Review a - Atomic, Molecular, and Optical Physics. 86. DOI: 10.1103/Physreva.86.052518  0.552
2011 Gaiduk AP, Staroverov VN. Construction of integrable model Kohn-Sham potentials by analysis of the structure of functional derivatives Physical Review a - Atomic, Molecular, and Optical Physics. 83. DOI: 10.1103/Physreva.83.012509  0.713
2010 Gaiduk AP, Staroverov VN. Communication: Explicit construction of functional derivatives in potential-driven density-functional theory. The Journal of Chemical Physics. 133: 101104. PMID 20849155 DOI: 10.1063/1.3483464  0.7
2009 Gaiduk AP, Chulkov SK, Staroverov VN. Reconstruction of Density Functionals from Kohn-Sham Potentials by Integration along Density Scaling Paths. Journal of Chemical Theory and Computation. 5: 699-707. PMID 26609574 DOI: 10.1021/Ct800514Z  0.713
2009 Gaiduk AP, Staroverov VN. How to tell when a model Kohn-Sham potential is not a functional derivative. The Journal of Chemical Physics. 131: 044107. PMID 19655837 DOI: 10.1063/1.3176515  0.71
2008 Gaiduk AP, Staroverov VN. Virial exchange energies from model exact-exchange potentials. The Journal of Chemical Physics. 128: 204101. PMID 18513004 DOI: 10.1063/1.2920197  0.662
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