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
2008–2013, Research Assistant, University of Western Ontario, Canada
Publications
A. P. Gaiduk, T. A. Pham, M. Govoni, F. Paesani, and G. Galli Electron affinity of liquid water Nature Comm. 9, 247 (2018).
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).
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).
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).
A. P. Gaiduk, I. G. Ryabinkin, and V. N. Staroverov Modified Slater exchange potential with correct uniform electron gas limitCan. J. Chem. 93, 91 (2015). [pdf]
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).
A. P. Gaiduk, I. G. Ryabinkin, and V. N. Staroverov Removal of basis-set artifacts in Kohn–Sham potentials
recovered from electron densities J. Chem. Theory Comput. 9, 3959 (2013).
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 Kohn–Sham equations J. Chem. Phys. 139, 074112 (2013).
A. P. Gaiduk, D. Mizzi, and V. N. Staroverov Self-interaction correction scheme for approximate Kohn–Sham potentials Phys. Rev. A 86, 052518 (2012).
A. P. Gaiduk, D. S. Firaha, and V. N. Staroverov Improved electronic excitation energies from shape-corrected semilocal Kohn–Sham potentials Phys. Rev. Lett. 108, 253005 (2012).
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).
A. P. Gaiduk and V. N. Staroverov Construction of integrable model Kohn–Sham potentials by analysis of the structure of functional derivatives Phys. Rev. A 83, 012509 (2011).
A. P. Gaiduk and V. N. Staroverov Explicit construction of functional derivatives in potential-driven density-functional theory J. Chem. Phys. 133, 101104 (2010).
A. P. Gaiduk and V. N. Staroverov How to tell when a model Kohn–Sham potential is not a functional derivative J. Chem. Phys. 131, 044107 (2009).
A. P. Gaiduk, S. K. Chulkov, and V. N. Staroverov Reconstruction of density functionals from Kohn–Sham potentials by integration along density scaling paths J. Chem. Theory Comput. 5, 699 (2009).
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).
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]
