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@jogorges Profile picture

Johannes Gorges

@jogorges

PhD student | theoretical computational chemist from Bonn

Joined May 2022
9Posts 50Followers 68Following
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Johannes Gorges
 @jogorges
Sep 5

Excited to be at the #STC2024 conference this year with my colleagues from @GrimmeLab I’ll be presenting my poster (P86) in today's session on calculating mass spectra with the QCxMS2 program. Stop by to check out the latest results from this ongoing development! #massspec

jogorges's tweet image. Excited to be at the #STC2024 conference this year with my colleagues from @GrimmeLab I’ll be presenting my poster (P86) in today's session on calculating mass spectra with the QCxMS2 program. Stop by to check out the latest results from this ongoing development! #massspec
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Johannes Gorges Reposted
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Grimme Lab
 @GrimmeLab
Mar 24

P. Pracht and co-workers proudly present #CREST-3.0! It features major code revisions and a variety of new implementations for improved and accelerated conformer search! 🧪🔍 Try it here (github.com/crest-lab/crest) and see our publication at pubs.aip.org/aip/jcp/articl….

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Johannes Gorges Reposted
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Grimme Lab
 @GrimmeLab
Jul 10, 2023

A week ago, three of our PhD students (J. Kohn, @jogorges, and @MrclMllr) and A. Hansen joined the #ICQC2023 in beautiful Bratislava. Thanks for all the inspiring contributions and discussions there! #compchem #quantumchemistry

GrimmeLab's tweet image. A week ago, three of our PhD students (J. Kohn, @jogorges, and @MrclMllr) and A. Hansen joined the #ICQC2023 in beautiful Bratislava. Thanks for all the inspiring contributions and discussions there! #compchem #quantumchemistry
GrimmeLab's tweet image. A week ago, three of our PhD students (J. Kohn, @jogorges, and @MrclMllr) and A. Hansen joined the #ICQC2023 in beautiful Bratislava. Thanks for all the inspiring contributions and discussions there! #compchem #quantumchemistry
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Johannes Gorges Reposted
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Grimme Lab
 @GrimmeLab
Dec 5, 2022

You can find us at this year's ORCA user meeting in the next two days. At 4:20 pm @jogorges gives a talk about the HS13L benchmark set and @MrclMllr presents the new ωB97X-3c in the poster session tomorrow. Online via Zoom: us02web.zoom.us/j/86121802189?… #compchem

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Grimme Lab
 @GrimmeLab
Dec 1, 2022

See how well low-cost methods describe non-covalent interactions in very large complexes (up to 2000 atoms!) and test your own methods on the new LNCI16 benchmark set presented in our latest article in Synlett: doi.org/10.1055/s-0042… . @jogorges @ben_baedorf

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Johannes Gorges
 @jogorges
Nov 25, 2022

If you are interested in computing supramolecular complexes, take a look at this new article in @PCCP and see how well CREST and CENSO work for this challenging task: doi.org/10.1039/D2CP04… @GrimmeLab #compchem

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Reliable prediction of association (free) energies of supramolecular complexes with heavy main...
Source: https://t.co/jy2NLOXLrE
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Johannes Gorges Reposted
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Grimme Lab
 @GrimmeLab
Jul 19, 2022

We are currently @IcniStrasbourg ! You can find us in today's poster session: @jogorges at P28 and T. Gasevic at P40

GrimmeLab's tweet image. We are currently @IcniStrasbourg ! You can find us in today's poster session: @jogorges at P28 and T. Gasevic at P40
GrimmeLab's tweet image. We are currently @IcniStrasbourg ! You can find us in today's poster session: @jogorges at P28 and T. Gasevic at P40
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Grimme Lab
 @GrimmeLab
May 13, 2022

Check out our new paper @PCCP where we investigated the effect of solvation on the conformational #entropy of non-rigid molecules. doi.org/10.1039/D1CP05… #compchem

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Towards understanding solvation effects on the conformational entropy of non-rigid molecules
Source: https://t.co/yyzOwc3pDI
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