Marina Jansen

PhD student at @UniHannover in @Koenig_Group and STEMinist (she/her) #compchem Views are my own.

[Marina Jansen @mrnr_jansen]

@TheRocketBeans Crit happens

[KoenigGroup @Koenig_Group]

What a perfect day to announce the publication of our new paper on Vibrational embedding theory!
#compchem #stc2023

Check it out:
https://t.co/bVfWku4kSj

[KoenigGroup @Koenig_Group]

25 The role of micro-solvation on computed emission spectra: The case of oxazines

27 Theoretical Molecular Assembly Kit for the Calculation of Refractive Indices of Metal-Organic Frameworks

37 Tailored vibrational structure theory for spectroscopic signatures

[KoenigGroup @Koenig_Group]

Check out our posters at #STC2023 :
@nnguyenthiminh (Nghia) No. 25
@mrnr_jansen (Marina) No. 27
@helmijanine (Janine) No. 37
#compchem

[KoenigGroup @Koenig_Group]

Congratulations to our group leader for receiving the Hellmann Prize at the #STC2023 !

[The Journal of Physical Chemistry @JPhysChem]

Several classes of embedding models are currently available, but few comparisons exist between them. In this paper, @erikdonhed and @Koenig_Group compare two popular methods based on either a classical embedding or a QM-QM embedding model.
https://t.co/R5xHLGGFNL

[Royal Society of Chemistry Books @RoySocChemBooks]

Chemical Modelling: Vol 17 contains comprehensive and critical reviews, thus is a convenient reference to the current literature.

Edited by Bahmann and Tremblay, it is ideal for those interested in the applications and theory of chemical modelling.

https://t.co/1qbH639eeL

[KoenigGroup @Koenig_Group]

Have a look at our recently published book chapter on quantum-derived #embedding schemes for local excitations!
Many thanks to @mrnr_jansen, @nnguyenthiminh and @erikdonhed for your contributions.#compchem
Check it out in Chemical Modelling by @RoySocChem: https://t.co/fJCwgzGllU

[KoenigGroup @Koenig_Group]

Our PhD students enjoying their last coffee break at #ESQC2022 yesterday. Heading home now after two weeks of #QuantumChemistry and making a lot of new friends. Hope to see you all again soon! #ESQC #compchem

[Marina Jansen @mrnr_jansen]

Just arrived in Palermo. Very excited to head to #ESQC with @nnguyenthiminh and @helmijanine now! #compchem

[The Journal of Physical Chemistry @JPhysChem]

Novel fragmentation-based decomposition scheme for electronic interaction energies by @Koenig_Group & @erikdonhed provides insight into the electronic interaction between an enzyme used in industrial biofuel production & its polysaccharide substrate.
https://t.co/grb0pcpPoS

[KoenigGroup @Koenig_Group]

@nnguyenthiminh 's recent work on a QM/QM hybrid scheme for vibronics has just been selected as @PCCP HOT article. Congrats Nghia! It is free to access. Find it here: https://t.co/ZRKpkMcKk0

[Nghia Nguyen @nnguyenthiminh]

I am very pleased to announce that our recent study on the prediction of vibronic spectra of #fluorescent #biomarkers is now published in @PCCP. Many thanks @Koenig_Group
Check it out at:
https://t.co/3e286JMfKK

[Erik Donovan Hedegård @erikdonhed]

Oppotunity for computational chemistry PhD position at DTU, Denmark

For details, see:
https://t.co/MqNQkyF6kw

[Marina Jansen @mrnr_jansen]

Congratulations @helmijanine 🎉

[KoenigGroup @Koenig_Group]

Congrats @helmijanine !

[Marina Jansen @mrnr_jansen]

@FOellien @JCIM_JCTC @ACSPublications Congratulations @marwinsegler !

[Lars Goerigk @lgoer_compchem]

2 fully funded joint-PhD positions in Theoretical Chemistry (!) @UniMelb & @KU_Leuven with joint supervision by myself and Thomas Jagau. For more info and requirements see the 2 position descriptions. #compchem
https://t.co/TZE4kARZNk https://t.co/NXifrZyffS

[Erik Donovan Hedegård @erikdonhed]

#CompChem We have an open post-doc position in my group at University of Southern Denmark. Application deadline 1. January 2022. #chempostdoc

See link below for details
https://t.co/HtLcUJQgUD

[Milica Feldt @FeldtMilica]

Please RT: I have two open PhD positions, so if you are interested in computational chemistry and want to study non-heme iron complexes and enzymes apply until 01.12.2021... More information on how to apply can be found here https://t.co/d42SUb8j78
#compchem #chemjob

[KoenigGroup @Koenig_Group]

Our latest paper has just been published!
We present a unified and flexible formulation for energy-based molecular fragmentation schemes:
@AIP_Publishing @UniHannover

https://t.co/L9WRzvU8fH