Peter Reinholdt

[Christina Wegeberg @CWegeberg]

Postdoc opportunity at @SyddanskUni: Has the time come for realizing quantum computing for transition metal complexes?

https://t.co/BHsRy98v99

Deadline: Feb 15, 2025
Start Date: March 1, 2025
Duration: 2 years
More info: [email protected]
RT appreciated 🙏 @Chemjobber

[Peter Reinholdt @PeterReinholdt]

@MikPavanello @erikdonhed I think you might be able to get free access with the "Articles on Request" link https://t.co/t4vMW4vvoc

[JCTC Papers @jctc_papers]

[ASAP] Nuclear Magnetic Shielding Constants with the Polarizable Density Embedding Model https://t.co/T9CPzNpWqP

[Peter Reinholdt @PeterReinholdt]

We have an open Ph.D. position in #compchem in Odense on studying electronic processes in complex and biological environments.
For more information about the position and how to apply see:
https://t.co/KVLxaONzE9

[JCTC Papers @jctc_papers]

[ASAP] Multiconfigurational SCF and Short-Range DFT Combined with Polarizable Density Embedding: Comparison of Linear-Response and State-Specific Solvatochromic Shifts of Acrolein and -nitrophenolate in Water https://t.co/NXez8Qc8O7

[JCTC Papers @jctc_papers]

[ASAP] Fast Approximate but Accurate QM/MM Interactions for Polarizable Embedding https://t.co/CRwpCMry4E

[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

[Peter Reinholdt @PeterReinholdt]

@scheurermax @foeroyingur Get ready for much faster PE calculations in @daltonprogram, @PSI_Code, and PySCF!

[JCTC Papers @jctc_papers]

[ASAP] Accounting for Vibronic Features through a Mixed Quantum-Classical Scheme: Structure, Dynamics, and Absorption Spectra of a Perylene Diimide Dye in Solution https://t.co/wLZ4VKpymX

[daltonprogram @daltonprogram]

We are happy to announce the release of the Dalton2020 suite. Many exciting new #compchem features. See the release announcement on the Dalton forum for more details: https://t.co/26N3Tbx78O

[Dr. St❦fan Gugler @stevain]

density functional theory realism intensifies

[Carlos Ramos @CarlosRTNT]

ok, now I can take a confident decision 😒

[Miguel Rivera 🥭 @michaelriver]

It's only a hybrid if it's from the "Bétroislippe" region of France. Otherwise it's just a sparkling GGA.

[Peter Reinholdt @PeterReinholdt]

@QCTDFT @janhjensen Hugenholtz Diagrams?

[ChemRxiv @ChemRxiv]

Polarizable Density Embedding for Large Biomolecular Systems by Jógvan Magnus Haugaard Olsen & co-workers

https://t.co/HNoc7cBTC1