Dubravko Sabo

Bashkir State University — Russia

Physics and Astronomy · Physical Sciences

17h-index784citations48works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(16), Quantum, superfluid, helium dynamics(15), Spectroscopy and Quantum Chemical Studies(14), Molecular Spectroscopy and Structure(6), Methane Hydrates and Related Phenomena(4)

Publications48 total

A Standardized Benchmark for Machine-Learned Molecular Dynamics Using Weighted Ensemble Sampling
The Journal of Physical Chemistry B·2025
A Standardized Benchmark for Machine-Learned Molecular Dynamics using Weighted Ensemble Sampling
arXiv (Cornell University)·2025Open Access
Active Learning for Machine Learning Driven Molecular Dynamics
arXiv (Cornell University)·2025Open Access
TICA-Based Free Energy Matching for Machine-Learned Molecular Dynamics
arXiv (Cornell University)·2025Open Access
Hydration of classic hydrophobic solutes Ar and Kr.
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2015Open Access
Hydration of Kr(aq) in Dilute and Concentrated Solutions
The Journal of Physical Chemistry B·2014· 21 citedOpen Access
Hydration of Kr(aq) in dilute and concentrated solutions
arXiv (Cornell University)·2014Open Access
Density functional studies of Rb+ hydration: Probing the analogy between Rb+ & K+ in K-channels[.
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2014
Density Functional Studies of Rubidium Hydration to Probe the Analogy Between Rb+ and K+ in K Channels
Biophysical Journal·2014Open Access
Case study of Rb+(aq), quasi-chemical theory of ion hydration, and the no split occupancies rule
arXiv (Cornell University)·2013Open Access
Case study of Rb%2B(aq) quasi-chemical theory of ion hydration and the no split occupancies rule.
The Royal Society of Chemistry·2013
Case study of Rb+(aq), quasi-chemical theory of ion hydration, and the no split occupancies rule
Annual Reports Section C (Physical Chemistry)·2013· 35 cited
CCDC 865316: Experimental Crystal Structure Determination
2012Open Access
A constant entropy increase model for the selection of parallel tempering ensembles
The Journal of Chemical Physics·2008· 44 cited
Classical/Ab initio molecular simulations and quasichemical approach to study hydrophobic and hydrophilic hydration phenomena.
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2008
Hydrophobic interactions at molecular scale.
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2008Open Access
Classical/ab initio molecular dynamics and quasichemical approach to the study of hydrophobic/hydrophilic hydration phenomena.
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2008Open Access
Classical and quantum chemical studies of Rb+ & Cs+ to understand mechanisms in K-channels.
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2008
Studies of the Thermodynamic Properties of Hydrogen Gas in Bulk Water
The Journal of Physical Chemistry B·2007· 45 citedOpen Access
K+/Na+ Selectivity in K Channels and Valinomycin: Over-coordination Versus Cavity-size constraints
Journal of Molecular Biology·2007· 154 citedOpen Access
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Frequent Co-authors

Susan B. Rempe(18), Sameer Varma(14), J. D. Doll(13), David L. Freeman(11), Lawrence R. Pratt(9), Zlatko Bačić(7), Samuel Leutwyler(7), Marcus G. Martin(5), Stephan Gräf(5), Dian Jiao(5), Razvan Marinescu(4), Cristian Predescu(3), Jeffery A. Greathouse(3), Mangesh I. Chaudhari(3), Alexander Aghili(3), A. M. Bruce(3), Kevin Bachelor(3), Sanya Murdeshwar(3), M. Harańczyk(2), E. Koltai(2)