Alex P. Gaiduk

University of Chicago — United States

Physics and Astronomy · Physical Sciences

17h-index1.1kcitations40works0.02yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(22), Advanced Chemical Physics Studies(16), Quantum, superfluid, helium dynamics(6), Glass properties and applications(5), Material Science and Thermodynamics(4)

Publications40 total

Validating first-principles molecular dynamics calculations of oxide/water interfaces with x-ray reflectivity data
Physical Review Materials·2020· 13 citedOpen Access
First-Principles Simulations of Liquid Water Using a Dielectric-Dependent Hybrid Functional
The Journal of Physical Chemistry Letters·2018· 92 cited
Ab Initio Simulations of Water Using Self-Consistent Hybrid Functionals
Bulletin of the American Physical Society·2018
Validating Molecular Dynamics and Joint DFT Predictions of Interfacial Water Using X-Ray Reflectivity
Bulletin of the American Physical Society·2018
Electron affinity of liquid water
Nature Communications·2018· 154 citedOpen Access
Electron Affinity of Liquid Water
2018· 20 cited
Electron affinities of water clusters from density-functional and many-body-perturbation theory
arXiv (Cornell University)·2017Open Access
Validating First Principles Molecular Dynamics Calculations of Solid/Liquid Interfaces with X-ray Reflectivity
Bulletin of the American Physical Society·2017
Computational photoelectron spectroscopy of liquid water
Bulletin of the American Physical Society·2017
Local and Global Effects of Dissolved Sodium Chloride on the Structure of Water
The Journal of Physical Chemistry Letters·2017· 114 cited
Photoelectron Spectra of Aqueous Solutions from First Principles
Journal of the American Chemical Society·2016· 73 citedOpen Access
Photoemission spectra of aqueous solutions of salts from many-body perturbation theory
Bulletin of the American Physical Society·2016
Density and Compressibility of Liquid Water and Ice from First-Principles Simulations with Hybrid Functionals
The Journal of Physical Chemistry Letters·2015· 89 cited
Structural properties of simple aqueous solutions from ab initio simulations
Bulletin of the American Physical Society·2015
Modified Slater exchange potential with correct uniform electron gas limit
Canadian Journal of Chemistry·2014· 3 cited
Structural and electronic properties of aqueous NaCl solutions from ab initio molecular dynamics simulations with hybrid density functionals
Chemical Physics Letters·2014· 87 cited
Smooth exchange-correlation potentials from electron densities
Bulletin of the American Physical Society·2014
Structural and electronic properties of NaCl dissolved in water
Bulletin of the American Physical Society·2014
Efficient construction of exchange and correlation potentials by inverting the Kohn–Sham equations
The Journal of Chemical Physics·2013· 39 cited
Removal of Basis-Set Artifacts in Kohn–Sham Potentials Recovered from Electron Densities
Journal of Chemical Theory and Computation·2013· 45 cited
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Frequent Co-authors

Giulia Galli(16), Viktor N. Staroverov(13), François Gygi(8), С. Г. Ковчур(6), Marco Govoni(5), E. V. Ukhina(5), Francesco Paesani(4), Ilya G. Ryabinkin(4), Tuan Anh Pham(3), Kendra Letchworth‐Weaver(3), Paul Fenter(3), J. M. Gustafson(2), Jonathan H. Skone(2), Katherine Harmon(2), Maria K. Y. Chan(2), V. S. Gigevich(2), S. E. Savitskii(2), Ya. V. Shklyar(2), А. И. Ольшанский(2), Z. E. Kovchur(2)