SELECTED PUBLICATIONS

SYMMETRY ADAPTED PERTURBATION THEORY

Many of my papers were devoted to the derivation of open-shell SAPT or calculations of dispersion free interactions energies.

​

• Dispersion interaction of high-spin open-shell complexes in the random phase approximation
  J. Chem. Phys. 119, 10497 (2003)

• Density Functional Theory Approach to Noncovalent Interactions via Monomer Polarization and Pauli Blockade
  Phys. Rev. Lett. 104, 163001 (2010)

•  Symmetry-adapted perturbation theory based on unrestricted Kohn-Sham orbitals for high-spin open-shell van der Waals complexes
  J. Chem. Phys. 137, 164104 (2012)

• First-order symmetry-adapted perturbation theory for multiplet
  splittings
  J. Chem. Phys. 148, 164110 (2018)​
  
  

METASTABLE HELIUM AND PENNING IONIZATION STORY

I had the honour to collaborate with one best experimental group working with collisions in molecular beams.  This was the first-ever case of precise prediction of positions of collisional resonances from first principles. 

• Kinetic Isotope Effect in Low-Energy Collisions between Hydrogen Isotopologues and Metastable Helium Atoms: Theoretical Calculations Including the Vibrational Excitation of the Molecule
  J. Chem. Theory Comput. 2021, 17, 2, 1008–1016

• Evidence of Nonrigidity Effects in the Description of Low-Energy Anisotropic Molecular Collisions of Hydrogen Molecules with Excited Metastable Helium Atoms 
   J. Chem. Theory Comput. 2020, 16, 4, 2450–2459

• Observation of the isotope effect in sub-kelvin reactions
  Nature Chemistry 6, 332–335 (2014)

• Directly probing anisotropy in atom–molecule collisions through quantum scattering resonances
  Nature Physics 13, 35–38 (2017)

​

FESHBACH RESONANCES IN COLD COLLISIONS

Control of interaction strength is vital for quantum simulations,  Bose-Einstein condensation, magneto-association, and many other experiments in cold matter physics. I was involved in studies of a novel type of  Feshbach resonances between various atoms, which are the subject of studies in most recent experiments. 

​

•  Ultracold RbSr molecules can be formed by magnetoassociation
  Phys. Rev. Lett. 105, 153201 (2010)

• Magnetically tunable Feshbach resonances in ultracold gases of europium atoms and mixtures of europium and alkali-metal atoms
  Phys. Rev. A 98, 032704
  (2018)

• Observation of Feshbach resonances between alkali and closed-shell
  atoms
  Nature Physics 14, 881–884 (2018)

SAPT APPLICATIONS

Some example applications of SAPT -tbd

ASTROCHEMISTRY

I merely started, but I have some papers already :)

• NO+ + H2: Potential energy surface and bound state calculations
  Chemical Physics Letters 771, 16,  138511  (2021)

• Rotational excitation of highly excited H2O by H2
  Monthly Notices of the Royal Astronomical Society, 502,  4, 5356–5361 (2021) 

​

COLD MOLECULES, THEORETICAL SPECTROSCOPY

tbd