Yury V. Suleimanov

Cyprus Institute — CY

Physics and Astronomy · Physical Sciences

27h-index2.4kcitations72works5.02yr avg
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Research Topics

Advanced Chemical Physics Studies(51), Quantum, superfluid, helium dynamics(48), Spectroscopy and Quantum Chemical Studies(16), Cold Atom Physics and Bose-Einstein Condensates(9), Molecular Spectroscopy and Structure(9)

Publications72 total

Towards reliable calculations of thermal rate constants: Ring polymer molecular dynamics for the OH + HBr <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.svg" display="inline" id="d1e680"><mml:mo>→</mml:mo></mml:math> Br + H<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si2.svg" display="inline" id="d1e685"><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math>O reaction
Chemical Physics Letters·2024· 5 cited
Ring Polymer Molecular Dynamics Approach to Quantum Dissociative Chemisorption Rates
The Journal of Physical Chemistry Letters·2023· 14 cited
Electronic Structure, Stability, and Electrical Mobility of Cationic Silver Oxide Atomic Clusters
The Journal of Physical Chemistry A·2022· 5 citedOpen Access
Towards reliable calculations of thermal rate constants: ring polymer molecular dynamics for the OH + HBr $\to$ Br + H$_2$O reaction
arXiv (Cornell University)·2022Open Access
Correction to Theoretical Kinetics Study of the F(<sup>2</sup>P) + NH<sub>3</sub> Hydrogen Abstraction Reaction
The Journal of Physical Chemistry A·2021· 1 cited
Assessing parameters for ring polymer molecular dynamics simulations at low temperatures: DH + H chemical reaction
Chemical Physics Letters·2021Open Access
Isotopic separation of helium through graphyne membranes: a ring polymer molecular dynamics study
Physical Chemistry Chemical Physics·2021· 13 citedOpen Access
Experimental and theoretical studies of the gas-phase reactions of O(<sup>1</sup>D) with H<sub>2</sub>O and D<sub>2</sub>O at low temperature
Physical Chemistry Chemical Physics·2021· 4 citedOpen Access
VTST and RPMD kinetics study of the nine-body X + C<sub>2</sub>H<sub>6</sub> (X ≡ H, Cl, F) reactions based on analytical potential energy surfaces
Physical Chemistry Chemical Physics·2020· 19 cited
Ring polymer molecular dynamics and active learning of moment tensor potential for gas-phase barrierless reactions: Application to S + H2
The Journal of Chemical Physics·2019· 17 citedOpen Access
Dynamics of H + HeH<sup>+</sup>(<i>v</i> = 0, <i>j</i> = 0) → H<sub>2</sub><sup>+</sup> + He: Insight on the Possible Complex-Forming Behavior of the Reaction
The Journal of Physical Chemistry A·2019· 9 citedOpen Access
Experimental and Theoretical Study of the O(<sup>1</sup>D) + HD Reaction
The Journal of Physical Chemistry A·2019· 15 citedOpen Access
New Stress Test for Ring Polymer Molecular Dynamics: Rate Coefficients of the O(<sup>3</sup>P) + HCl Reaction and Comparison with Quantum Mechanical and Quasiclassical Trajectory Results
The Journal of Physical Chemistry A·2019· 11 cited
A ring polymer molecular dynamics study of low temperature insertion reactions for astrochemistry
HAL (Le Centre pour la Communication Scientifique Directe)·2019
The dynamics of H + HeH$^+ (v=0,j=0) \rightarrow$ H$_2^+$ + He: New insight on the possible complex-forming behaviour of the reaction
2019
Zero- and High-Pressure Mechanisms in the Complex Forming Reactions of OH with Methanol and Formaldehyde at Low Temperatures
ACS Earth and Space Chemistry·2019· 21 citedOpen Access
Quantum Roaming in the Complex-Forming Mechanism of the Reactions of OH with Formaldehyde and Methanol at Low Temperature and Zero Pressure: A Ring Polymer Molecular Dynamics Approach
The Journal of Physical Chemistry Letters·2019· 38 citedOpen Access
Low temperature rates for key steps of interstellar gas-phase water formation
Science Advances·2018· 26 citedOpen Access
Automated Calculation of Thermal Rate Coefficients using Ring Polymer Molecular Dynamics and Machine-Learning Interatomic Potentials with Active Learning
DSpace@MIT (Massachusetts Institute of Technology)·2018Open Access
Automated Calculation of Thermal Rate Coefficients using Ring Polymer Molecular Dynamics and Machine-Learning Interatomic Potentials with Active Learning: Application to Thermally Activated Gas Phase Chemical Reactions.
arXiv (Cornell University)·2018· 1 citedOpen Access
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Frequent Co-authors

Hua Guo(11), William H. Green(10), David E. Manolopoulos(6), F. J. Aoiz(6), Yongle Li(6), Somnath Bhowmick(6), J. Espinosa-Garcı́a(5), Rosana Collepardo‐Guevara(4), Ricardo Pérez de Tudela(4), Kevin M. Hickson(4), J. F. Castillo(3), J. C. Corchado(3), Alexander V. Shapeev(3), Alfredo Aguado(3), Octavio Roncero(3), Tomás González‐Lezana(3), Pablo G. Jambrina(2), Jun Li(2), Ivan S. Novikov(2), Pablo del Mazo‐Sevillano(2)