Ragnar Bjornsson

Computational chemistry group of Ragnar Bjornsson at LCBM - Laboratoire de chimie et biologie des métaux, at the CEA in Grenoble.

[Tobias Kraemer @TobiKraemer]

We are pleased to see our theoretical study of the electronic structure of dialumenes published in @PCCP
Fruitful collaboration with my friend @RagnarBj at CEA Grenoble, calculations expertly done by my PhD student @keelan542 @MaynoothChem

https://t.co/CouwMWqffJ

[Ragnar Bjornsson @RagnarBj]

@bernadsz @faccts_orca Very cool Bernardo, look forward to hearing about the tricks behind the scenes. Any artificial charge transfer between protein and solvent ? ;)

[Soumen Ghosh @SoumenChem]

My research group @iitmadras is looking for PhD students to work in the area of theoretical and computational chemistry. CSIR-UGC,GATE,INSPIRE qualified candidates must complete their application before 31st March- https://t.co/aOu3aOoiJX . Send your CV to [email protected].

[Ragnar Bjornsson @RagnarBj]

@inigo_iribarren Easy to do MD or MTD at QM, MM or QM/MM level also.
Reaction paths via a state-of-the-art NEB implementation available.
Good tutorials for getting started: https://t.co/9s8UoXAWYF
Has been used for a few published studies already:https://t.co/3Qi61bSoHH

[Ragnar Bjornsson @RagnarBj]

@inigo_iribarren You could try our ASH: https://t.co/ZkcVcGQBJj
It is a general QM/MM program that allows you to select what QM-program (e.g. ORCA, xTB, CP2K etc.) you want with an OpenMM FF description (many MM FFs possible). You can do setup, MM and QM/MM in same env. https://t.co/D4D7VWqTAk

[Ragnar Bjornsson @RagnarBj]

Both projects will involve using and/or developing ASH, our multiscale modelling program:
https://t.co/ZkcVcGQBJj
https://t.co/6gwijlfHE6

[Ragnar Bjornsson @RagnarBj]

2 open PhD positions in #compchem in our group in Grenoble, France at the CEA
1. Predicting new catalysts for N2 fixation.
2. QM/MM and crystallography of CODH. With @kikicavazza. Funded by @LabexArcane
See https://t.co/EOlx6QTrOi
#compinorgchem #inorganic #bioinorganic

[Ragnar Bjornsson @RagnarBj]

@kikicavazza @LabexArcane NiFe carbon monoxide dehydrogenase (CODH) is Nature's way of interconverting CO2 and CO.
See https://t.co/7ZLlLliKGd for more information.

[Tobias Kraemer @TobiKraemer]

We have an opportunity to apply for PhD funding in my group through the John & Pat Hume Scholarship. If you are interested in applying for a project in Computational Chemistry, please see the link below for further details. @MaynoothUni #compchem
https://t.co/slNNLXP6zZ

[Maren Podewitz @PodewitzLab]

📢📢📢 Call for nominations: QBIC Award for 2023 and 2024. Please email your nominee to Vera Krewald krewald at https://t.co/NREIlBClp4 no later than 15.02.24 more info here: https://t.co/hCyXd99nO0 @Marcel_Swart @D_A_Pantazis @MSDLabMD

[Ragnar Bjornsson @RagnarBj]

@keelan542 @TobiKraemer @IrishResearch @MaynoothChem @boconline Congrats!

[Ragnar Bjornsson @RagnarBj]

@CeeVeeEss1 @anexjs99 @LuLabUT @UTChemistry @StanfordUChem @SSRLnews Glad to hear it!

[Adam Kubas @adkubas]

Do not miss 6th Quantum Bioinorganic Chemistry Conference! Poster abstracts accepted until 13.08. Registration utill conference start on 29.08. Check our exciting program: https://t.co/DOcU7pmxVx
@RagnarBj @QBICSoc @JCIM_JCTC @ICHF_PAN @CandelaNGO #qbicvi

[Ragnar Bjornsson @RagnarBj]

QBIC-VI is approaching! Check out the program: https://t.co/GJ3pHbhS78
Poster abstract submission deadline : August 13th.
@QBICSoc will sponsor talk and poster awards.
RSC journal (PCCP and Dalton) thematic issue in connection with QBIC-VI (TBA).
#QBIC #compchem #inorgchem

[Adam Kubas @adkubas]

Meet the QBIC VI keynote speakers: Martin Kaupp, Robert Izsák, Elżbieta Gumienna-Kontecka, Christophe Léger…
@QBICSoc
@RagnarBj
@CandelaNGO
#compchem #qbicvi

[Adam Kubas @adkubas]

Meet the QBIC VI plenary speakers: prof. Jochen Blumberger (UCL, UK) and prof. Pavel Jungwirth. Early bird registration is still active (deadline 1st July), poster abstracts are accepted until 13.08.2023! https://t.co/nA7lwtvJEN
@QBICSoc @RagnarBj @CandelaNGO #compchem #qbicvi

[Adam Kubas @adkubas]

Finally out - we show how to get closer to complete PNO space in DLPNO-CCSD(T) in an economic way with MP2 method! The supplementary cover will follow!
https://t.co/l3CONKUju0
#compchem @jctc_papers @JCIM_JCTC

[Adam Kubas @adkubas]

QBIC VI schedule is online:
https://t.co/DOcU7pmxVx
Early bird registration has been extended to July 1st!
We also work with RSC to have a thematic issue (TBA)
#QBIC #compchem #inorgchem
@QBICSoc @RagnarBj @vera_krewald @D_A_Pantazis @Marcel_Swart @nuno_bandeira @Joanna_Kargul

[Adam Kubas @adkubas]

We have a long weekend in Poland :) QBIC VI contributed talk abstracts are accepted by 3rd May! Poster abstracts should be submitted by 13.08.2023.
Visit conf. website for more details https://t.co/nA7lwtvJEN
#qbicvi #compchem
@RagnarBj @QBICSoc