Alex Gaiduk
The University of Chicago
Institute for Molecular Engineering
5640 South Ellis Avenue
Chicago, IL 60637
Phone: (773) 834-7392
Email: agaiduk@uchicago.edu
Former Postdoctoral Researcher
Education
- Ph.D. in Chemistry, University of Western Ontario, Canada (2013)
- B.Sc. in Chemistry, Belarus State University, Belarus (2008)
Professional Affiliations
- American Physical Society (APS)
- American Chemical Society (ACS)
Areas of Interest
- Machine learning of molecular systems
- Materials for new energy resources
- First-principles molecular-dynamics simulations
- Development of density-functional approximations
Experience
- 2018–present, Postdoctoral Researcher, Argonne National Laboratory
- 2013–2018, Postdoctoral Researcher, The University of Chicago
- 20082013, Research Assistant, University of Western Ontario, Canada
Publications
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A. P. Gaiduk, T. A. Pham, M. Govoni, F. Paesani, and G. Galli
Electron affinity of liquid water
Nature Comm. 9, 247 (2018).
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A. P. Gaiduk, F. Paesani, and G. Galli
Electron affinities of water clusters from density-functional and many-body-perturbation theory
ArXiv e-Prints (2017).
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A. P. Gaiduk and G. Galli
Local and Global Effects of Dissolved Sodium Chloride on the Structure of Water
J. Phys. Chem. Lett. 8, 1496–1502 (2017).
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A. P. Gaiduk, M. Govoni, R. Seidel, J. Skone, B. Winter, and G. Galli
Photoelectron spectra of aqueous solutions from first principles
J. Am. Chem. Soc. Commun. 138, 6912 (2016).
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A. P. Gaiduk, F. Gygi, and G. Galli
Density and compressibility of liquid water and ice from first-principles simulations with hybrid functionals
J. Phys. Chem. Lett. 6, 2902 (2015).
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A. P. Gaiduk, I. G. Ryabinkin, and V. N. Staroverov
Modified Slater exchange potential with correct uniform electron gas limit
Can. J. Chem. 93, 91 (2015). [pdf]
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A. P. Gaiduk, C. Zhang, F. Gygi, and G. Galli
Structural and electronic properties of aqueous NaCl solutions from ab initio molecular dynamics simulations with hybrid density functionals
Chem. Phys. Lett. 604, 89 (2014).
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A. P. Gaiduk, I. G. Ryabinkin, and V. N. Staroverov
Removal of basis-set artifacts in KohnSham potentials
recovered from
electron densities
J. Chem. Theory Comput. 9, 3959 (2013).
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A. A. Kananenka, S. V. Kohut, A. P. Gaiduk, I. G. Ryabinkin, and V. N. Staroverov
Efficient construction of exchange and correlation potentials by inverting the KohnSham equations
J. Chem. Phys. 139, 074112 (2013).
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A. P. Gaiduk, D. Mizzi, and V. N. Staroverov
Self-interaction correction scheme for approximate KohnSham potentials
Phys. Rev. A 86, 052518 (2012).
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A. P. Gaiduk, D. S. Firaha, and V. N. Staroverov
Improved electronic excitation energies from shape-corrected semilocal KohnSham potentials
Phys. Rev. Lett. 108, 253005 (2012).
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A. P. Gaiduk and V. N. Staroverov
A generalized gradient approximation for exchange derived from the model potential of van Leeuwen and Baerends
J. Chem. Phys. 136, 064116 (2012).
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A. P. Gaiduk and V. N. Staroverov
Construction of integrable model KohnSham potentials by analysis of the structure of functional derivatives
Phys. Rev. A 83, 012509 (2011).
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A. P. Gaiduk and V. N. Staroverov
Explicit construction of functional derivatives in potential-driven density-functional theory
J. Chem. Phys. 133, 101104 (2010).
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A. P. Gaiduk and V. N. Staroverov
How to tell when a model KohnSham potential is not a functional derivative
J. Chem. Phys. 131, 044107 (2009).
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A. P. Gaiduk, S. K. Chulkov, and V. N. Staroverov
Reconstruction of density functionals from KohnSham potentials by integration along density scaling paths
J. Chem. Theory Comput. 5, 699 (2009).
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A. P. Gaiduk and V. N. Staroverov
Virial exchange energies from model exact-exchange potentials
J. Chem. Phys. 128, 204101 (2008).
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A. P. Gaiduk, P. I. Gaiduk, and A. Nylandsted Larsen
Chemical bath deposition of PbS nanocrystals: Effect of substrate
Thin Solid Films 516, 3791 (2008).
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A. P. Gaiduk, A. Nylandsted Larsen, and P. I. Gaiduk
Decomposition of SiO2(Ge) supersaturated alloys due to high-temperature treatment (in Russian)
Perspekt. Mater. 2, 29 (2007). [pdf]