Tessera
Folgen

Ewa Pastorczak

@ewapastorczak.bsky.social

Doing quantum chemistry at @p_lodz_pl

53 Posts1246 Follower970 Folgt
Rafał Szabla@rafal-szabla.bsky.social · 8mo ago

I am looking for a Postdoctoral Researcher who will focus on computational studies of RNA. Topics include studying non-enzymatic RNA self-replication with MD and QM/MM methods, and applying/developing machine learning potentials for RNA. Full info under: euraxess.ec.europa.eu/jobs/405129

Research associate/visiting researcher in computational chemistry

Faculty/Unit/Organizational unit: Faculty of Chemistry/ Wroclaw University of Science and Technology

euraxess.ec.europa.eu

Rowerowe Sygnały@handle.invalid · 11mo ago

✅ Petycja do Sejmu RP o zmianę przepisu o minimalnej odległości samochodu od wyprzedzanej osoby na rowerze z 1 metra do 1,5 metra. Pomożecie mi w zbiórce podpisów? www.petycjeonline.com/15_metra_rat...

1,5 metra ratuje życie - petycja do Sejmu RP

Szanowny Panie Marszałku, Szanowne Panie Posłanki, Szanowni Panowie Posłowie! Na podstawie art. 63 Konstytucji RP oraz art. 2 ustawy z dnia 11 lipca 2014 r. o petycjach (Dz. U. z 2018 r...

petycjeonline.com

Janus Juul Eriksen@januseriksen.bsky.social · last yr.

I will soon advertise a call for a 2y-postdoc position in my group intended for a talented, motivated, and ambitious candidate to help develop new ways to promote bonds as kernels in the interpretation of chemical simulations.

Sławomir Sierakowski@sierakowski.bsky.social · 2y ago

USA zablokowało dostęp do rozpoznania wywiadowczego ukraińskie wojska. To już jest zbrodnia. FT: The US has cut off intelligence sharing with Kyiv in a move that could seriously hamper the Ukrainian military’s ability to target Russian forces, according to officials familiar with the matter.

Cristina Trujillo@trujillo-group.bsky.social · 2y ago

The Newton International Fellowship is now open! A fantastic chance for early-career researchers to join a UK institution. If your work involves #QM, #ML & #Catalysis, and you're interested in joining my group, feel free to reach out! royalsociety.org/grants/newto... #CompChem #CatalystDesign

Newton International Fellowships | Royal Society

This fellowship is for non-UK scientists who are at an early stage of their research career and wish to conduct research in the UK.

royalsociety.org

Ewa Pastorczak@ewapastorczak.bsky.social · 2y ago

For the efficiency of a diarylethene photoswitch, the tiniest structural change makes a huge difference. Arek Jarota and I try to answer why: pubs.acs.org/doi/full/10....

Tale of Three Dithienylethenes: Following the Photocycloreversion with Ultrafast Spectroscopy and Quantum Dynamics Simulations

Photocycloreversion reactions of three diarylethene derivatives whose structures differ only in the placement of two sulfur atoms in the cyclopentene rings are investigated. Despite the minuscule differences between the molecules, both the yields and times of the photoreactions vary considerably. Using UV–vis and infrared femtosecond spectroscopy and quantum chemical dynamics simulations, we elucidate the relationships among the quantum yield, electronic and vibrational relaxation time, and structural properties of the dithienylethene photoswitches. We show that the local aromaticity of the molecule’s central ring could be one of the predictors of the quantum yield and the rate of cycloreversion. While from the perspective of electronic dynamics, the cycloreversion is completed within a few picoseconds at most, all three derivatives exhibit much longer (10–25 ps) nuclear rearrangement times that determine the actual times of stable photoproduct formation.

pubs.acs.org

Sergey Frolov🇺🇦@spinespresso.bsky.social · 2y ago

We are hiring! These positions come with some responsibility for equipment, but provide for ways out doing research (and teaching) outside of the treacherous tenure-track. Can apply for grants, supervise research projects based on shared equipment. Part of new $20M investment in quantum at Pitt.

Bild
Ewa Pastorczak@ewapastorczak.bsky.social · 2y ago

The community turned out to be quite large, so I'm making a sequel: go.bsky.app/9H4Ldqx If you'd like to be in it, or you know someone who should be here, please let me know. Please follow, share, join, and generally - be supportive! 👩‍🔬

Ewa Pastorczak@ewapastorczak.bsky.social · 2y ago

OK, folks. It took less time than I thought - the Women in Chemistry pack is now full of magnificent ladies of #Chemsky. You can follow them (us) all by clicking the "Follow all" button.