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Out of Equilibrium
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Research
Publications
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#Mathematics in chemistry
#Afterlife
Out of Equilibrium
Home
Research
Publications
Lectures
Events
#Mathematics in chemistry
#Afterlife
Home
Research
Publications
Lectures
Events
#Mathematics in chemistry
#Afterlife

Jan
19

Constraints for the non-radiative decay

  • Thursday, January 19, 2023
  • 11:30 AM 12:30 PM
  • 81, Aronberg, Fritz-Haber Center for Molecular Dynamics (map)
  • Google Calendar ICS

New paper published : ) Description of the 2D, 3D and 4D dynamics in pyrazine via dominant constraints

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Apr
24

PhD thesis submitted : D

  • Sunday, April 24, 2022
  • 10:30 AM 10:30 AM
  • 81, Aronberg, Fritz-Haber Center for Molecular Dynamics (map)
  • Google Calendar ICS

I summarised all our findings regarding the non-equilibrium electron dynamics in my second PhD thesis. What a pleasure to look back on my work of the past five years. Hopefully next five will be even more exciting!

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Oct
20

Scientific papers as e-books!

  • Wednesday, October 20, 2021
  • 1:55 AM 2:20 AM
  • Google Calendar ICS

Do you want to read research articles on your e-book? I think I would not mind. Although color-figures would look like a black&white photos. Anyway, our paper in Frontiers just got transferred to such a e-book! Interesting!

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Sep
23

Algebraic view on the density of anharmonic systems

  • Thursday, September 23, 2021
  • 2:30 PM 3:30 PM
  • Google Calendar ICS

When the algebraic structure of the dynamics is not closed upon commutation with Hamiltonian - we still can find a way out with an approximate treatment of the dynamics. Practical tool for surprisal in quantum systems as a function of observables, see details here.

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Jul
10

Coherence as an observable that controls the density

  • Saturday, July 10, 2021
  • 2:30 PM 3:30 PM
  • Google Calendar ICS

Analytical evaluation of the dynamics for the surprisal (minus logarithm of the density) matrix elements prove the crucial role of the off-diagonal terms - electronic coherences as observables. The role of the mass on the coherence and non-adiabatic dynamics is discussed from the algebraic view point. See more details in our JCP paper

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Jun
21
to Jun 25
Conferences

2021 Conference on Lasers and Electro-Optics/Europe

  • Mon, Jun 21, 2021 9:00 AM Fri, Jun 25, 2021 6:10 PM
  • Google Calendar ICS

International conference to highlight new frontiers in lasers, photonics and optical science across a wide range of technical areas.

The CLEO®/Europe-EQEC conference series has a strong tradition as a comprehensive and prestigious gathering of optics and photonics researchers and engineers in Europe. With technical co-sponsorship provided by the European Physical Society (EPS), the IEEE Photonics Society (IPS) and the Optical Society (OSA), CLEO®/Europe reflects a strong international presence in the complementary research traditions of laser science, photonics and quantum electronics. More specifically, CLEO®/Europe emphasizes applied physics, optical engineering and applications of photonics and laser technology whereas EQEC emphasizes basic research in laser physics, nonlinear optics and quantum optics.

CLEO®/Europe will showcase the latest developments in a wide range of laser and photonics areas including laser source development, materials, ultrafast science, fibre optics, nonlinear optics, terahertz sources, high-field physics, optical telecommunications, nanophotonics, biophotonics. EQEC will feature the fundamentals of quantum optics, quantum information, atom optics, ultrafast optics, nonlinear phenomena and self-organization, plasmonics and metamaterials, fundamental nanooptics, theoretical and computational photonics. This combination provides a unique forum to obtain informative overviews and discuss recent advances in a wide spectrum of topics, from fundamental light-matter interactions and new sources of coherent light to technology development, system engineering and applications in industry and applied science.

CLEO®/Europe-EQEC 2021 conference is Europe’s largest conference on photonics and related research fields. The program features plenary lectures, keynote and tutorial speakers, invited talks, contributed talks and poster sessions within the different topics. Furthermore, the conference will feature 12 short courses and joint symposia.

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Apr
27
Conferences

II Online symposium in memory of A.A. Granovsky

  • Tuesday, April 27, 2021
  • 12:00 AM 3:30 PM
  • Google Calendar ICS

Our latest results on the density via observables for non-adiabatic dynamics! Online symposium on computational chemistry in memory of A.A. Granovsky. Video of the lecture “Surprisal of a quantum state: dynamics, compact representation and coherence effects“ is available on a YouTube channel

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Nov
25
Publications

What operators are important for the density matrix during the non-adiabatic interaction?

  • Wednesday, November 25, 2020
  • 12:00 AM 12:00 AM
  • Google Calendar ICS

Computing the non-adiabatic dynamics by observables. Beginning of a new project! So excited :D

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Nov
19
Conferences

VISTA Seminar: First presentation on the surprisal based quantum dynamics!

  • Thursday, November 19, 2020
  • 8:00 PM 9:00 PM
  • Google Calendar ICS

A good blend of the surprisal, dominant constraints in quantum dynamics and non-adiabatic population exchange. See the recording of the VISTA seminar here

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Aug
6
Publications

How to compute the nuclear dynamics on a quantum computer?

  • Thursday, August 6, 2020
  • 12:00 AM 12:00 AM
  • Google Calendar ICS

Mapping the algebra of pure electronic degrees of freedom onto a pure vibrational Hilbert space. See an example in our recent paper in J. Phys. Chem. Lett.!

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Apr
13
to Apr 14
Conferences

Online symposium in memory of A.A. Granovsky

  • Mon, Apr 13, 2020 9:00 AM Tue, Apr 14, 2020 6:55 PM
  • Google Calendar ICS

Online symposium on computational chemistry in memory of A.A. Granovsky. Video of the lecture “A novel dynamical non-adiabatic isotope effect” is available on a YouTube channel

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Mar
30
Publications

New paper: Electron-nuclei correlations in ultrafast field induced dynamics on dissociative states

  • Monday, March 30, 2020
  • 12:00 AM 12:00 AM
  • Google Calendar ICS

Our paper about electron-nuclei correlations in ultrafast field induced dynamics of LiH is published in the special issue of J. Phys. B: At., Mol. Opt. Phys.! In this work we focus on the question of how mass of the nuclei affects the non-adiabatic transfer during the dynamics on dissociative potentials. See details here

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Location: R.D. Levine group, Fritz-Haber Center for Molecular Dynamics, The Hebrew University of Jerusalem

 

Contact: Dr. Ksenia Komarova, Curriculum vitae,

ksenia.komarova[at]mail.huji.ac.il

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