Alex Gaiduk

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
• 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 and G. Galli
  Local and Global Effects of Dissolved Sodium Chloride on the Structure of Water
  J. Phys. Chem. Lett. 8, 1496–1502 (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 limit Can. 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 and V. N. Staroverov
  Virial exchange energies from model exact-exchange potentials
  J. Chem. Phys. 128, 204101 (2008).
• 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]