Open positions
We usually have open master, Ph. D., and postdoctoral positions in theoretical chemical physics and bioinformatics. For details, follow the link.
NEWS
2023
| 22.09 |
Our paper “Isotope Effects on the Electronic Spectra of Ammonia from Ab Initio Semiclassical Dynamics” was published in The Journal of Physical Chemistry A. Congratulations to Eriks and Yannick! |
| 07.09 |
Our paper “High-order geometric integrators for the variational Gaussian approximation” was published in The Journal of Chemical Physics. Congratulations to Roya! |
| 07.07 |
Jiri published his paper “Family of Gaussian wavepacket dynamics methods from the perspective of a nonlinear Schrödinger equation” in The Journal of Chemical Physics. Congratulations! |
| 26.04 |
Our paper “How to Find Molecules with Long-lasting Charge Migration?” was published in the Junior Laureates Issue of CHIMIA. Congratulations to Alan! |
| 23.03 |
Our paper “Sampling strategies for the Herman–Kluk propagator of the wavefunction” was published in “Frontiers in Physics”. Congratulations to Fabian! |
2022
| 23.11 |
Our paper “Sampling strategies for the Herman–Kluk propagator of the wavefunction” was submitted in “Frontiers in Physics”. Congratulations to Fabian! |
| 15.11 |
Seonghoon Choi won the EDCH Top 8% Thesis Distinction 2022. Congratulations to Choi! |
| 09.09 |
Alan won the best talk prize at SCS Fall Meeting 2022 in the computational chemistry session. Congratulations! |
| 01.07 | Yebin Lee has joined our group as a Ph.D. student. Welcome! |
| 29.06 | Our review paper “Efficient Semiclassical Evaluation of Electronic Coherences in Polyatomic Molecules” was published in Chimia. Congratulations to Nikolay! |
| 25.03 | Julien Roulet has successfully defended his Ph.D. Thesis. Congratulations! |
| 09.02 | Seonghoon Choi has successfully defended his Ph.D. Thesis. Congratulations! |
| 18.01 | Our paper “Search for long-lasting electronic coherence using on-the-fly ab initio semiclassical dynamics” was published in The Journal of Chemical Physics, selected as Featured article and appeared on the cover of the issue. Congratulations to Alan and Nikolay! |
2021
| 15.12 | Tomislav won the ISIC prize for the best dissertation in the doctoral school in chemistry. Congratulations! |
| 01.12 | Choi received the Teaching Assistant Excellence Award. Congratulations! |
| 29.11 | Our paper “An implicit split-operator algorithm for the nonlinear time-dependent Schrödinger equation” was published in The Journal of Chemical Physics. Congratulations to Julien! |
| 30.09 | Our research on attosecond transient absorption spectroscopy of molecules was announced in the news! Congratulations to Nikolay! |
| 23.09 | Our paper “High-order geometric integrators for representation-free Ehrenfest dynamics” was published in The Journal of Chemical Physics. Congratulations to Choi! |
| 16.09 | Our paper “Core-Valence Attosecond Transient Absorption Spectroscopy of Polyatomic Molecules” was published in Physical Review Letters. Congratulations to Nikolay! |
| 15.07 | Fabian Kröninger has joined our group as a Ph.D. student. Welcome! |
| 28.05 | Tomislav Begusic has successfully defended his Ph.D. Thesis. Congratulation, Tomislav! |
| 19.04 | Our paper “Time-reversible and norm-conserving high-order integrators for the nonlinear time-dependent Schrödinger equation: Application to local control theory” was published in The Journal of Chemical Physics. Congratulations to Julien! |
| 25.03 | Our paper “How important are the residual nonadiabatic couplings for an accurate simulation of nonadiabatic quantum dynamics in a quasidiabatic representation?” was published in The Journal of Chemical Physics. Congratulations to Choi! |
| 18.03 | Our paper “Finite-Temperature, Anharmonicity, and Duschinsky Effects on the Two-Dimensional Electronic Spectra from Ab Initio Thermo-Field Gaussian Wavepacket Dynamics” was published in The Journal of Physical Chemistry Letters. Congratulations to Tomislav! |
| 12.02 | Choi won the best poster presentation award at the annual meeting of the Swiss Association of Computational Chemistry. Congratulations! |
Isotope Effects on the Electronic Spectra of Ammonia from Ab Initio Semiclassical Dynamics
The Journal of Physical Chemistry
2023-09-22
DOI : 10.1021/acs.jpca.3c04607
High-order geometric integrators for the variational Gaussian approximation
The Journal of Chemical Physics
2023-09-07
Vol. 159 , num. 9.DOI : 10.1063/5.0165489
How to Find Molecules with Long-lasting Charge Migration?
Chimia
2023-04-01
Vol. 77 , num. 4, p. 201-205.DOI : 10.2533/chimia.2023.201
Sampling strategies for the Herman-Kluk propagator of the wavefunction
Frontiers In Physics
2023-03-23
Vol. 11 , p. 1106324.DOI : 10.3389/fphy.2023.1106324
Efficient Semiclassical Evaluation of Electronic Coherences in Polyatomic Molecules
Chimia
2022-06-01
Vol. 76 , num. 6, p. 575-581.DOI : 10.2533/chimia.2022.575
Applicability of the Thawed Gaussian Wavepacket Dynamics to the Calculation of Vibronic Spectra of Molecules with Double-Well Potential Energy Surfaces br
Journal Of Chemical Theory And Computation
2022-05-10
Vol. 18 , num. 5, p. 3065-3074.DOI : 10.1021/acs.jctc.2c00030
Search for long-lasting electronic coherence using on-the-fly ab initio semiclassical dynamics
Journal Of Chemical Physics
2022-01-21
Vol. 156 , num. 3, p. 034104.DOI : 10.1063/5.0076609
Efficient geometric integrators for the linear and nonlinear time-dependent Schrödinger equation
Lausanne: EPFL2022
p. 146.DOI : 10.5075/epfl-thesis-8790