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We are happy to share our #ChemicalReviews paper about #npAu #gold #catalysis #synthesis #characterization. It was a great collaboration with groups Universität Bremen @UniOldenburg TU Hamburg Freie Universität TU Braunschweig UFS @mapex_de Find the article here: doi.org/10.1021/acs.ch…

We have been part of a work on the Origin of hydroxyl pair formation on reduced anatase TiO2(101) - now published in Physical Chemistry Chemical Physics pubs.rsc.org/en/content/art… #anatase #tio2 #h2o #oh #infrared #stm #dft Aarhus University Pacific Northwest National Laboratory Universität Bremen @mapex_de

It was a pleasure to listen to the talk of Luca Gerhards QuantBio Group We are looking forward to see what you will be able to do with molspin.eu in the future! Discussions went on long after the talk was finished ;)

Impressions from #CSC2023 in beautiful Vancouver Hybrid Materials Interfaces Maria von Einem

At 08.06.2023 Annika Niemann successfully presented the results of her Bachelor thesis at the 15th Early Career Researcher Workshop of @mapex_de at the @UniBremen. Congratulations to Annika and many thanks to the organizers for this exciting experience.

Within the framework of the BREMEX exchange between Universität Bremen and ENES Unidad Morelia scientists from both Universities organized a summer school about "Hybrid interfaces in experiment and simulation". More details here: sites.google.com/enesmorelia.un…

Wer sagt, Ingenieur*innen und Sozialwissenschaftler*innen hätten sich nicht viel zu sagen? Gestern diskutierten Lucio Colombi Ciacchi @mapex_de Universität Bremen und Christian Peters Christian Peters und ein engagiertes Publikum über die Zukunft einer Marsmission. Hat Spaß gemacht!

Some time has passed since the first #Quanten Tage in Bremen , but still discussions are going on. It was a pleasure to join! #quantumtechnologies #MachineLearning #quantumchemistry #knowledgeexchange

Find our latest publication EurJOC about #chlorophyll derivates for application in #dye sensitized #solarcells we combined #orcanicchemistry synthesis with #DFT #TDDFT modelling to calculate #uvvis spectra. Find the article here: doi.org/10.1002/ejoc.2…

Wilke Hybrid Materials Interfaces had the opportunity to write one of six articles about #trends in #TheoreticalChemistry for the Bunsen Magazine #BunsenGesellschaft #PhysicalChemistry find the full article (in German only) here: bunsen.de/bmo/das-experi… #physikalischeChemie #theoretischeChemie

Find the preprint about #DFT #atomistic #simulations of high #pressure on #Atoms #Molecules and #PeriodicMaterials at #ChemRxiv doi.org/10.26434/chemr… Wilke of Hybrid Materials Interfaces is proud to be part of it ;)

In our new preprint we present a publicly available implementation of the JEDI analysis. Our code allows strain analyses of mechanically deformed molecular and solid-state systems. chemrxiv.org/engage/chemrxi…

Worried about your supercomputer electricity bill⚡️ We got your back! Model your glycans in minutes with #GlycoSHIELD! Amazing collab w/ @cyril_hanus & Shang-Te Danny Hsu, now in Cell tinyurl.com/bdhuzbnu Malopolska Centre of Biotechnology UJ Max Planck Institute of Biophysics Max Planck Society Inserm 中央研究院 Academia Sinica #glycotime

We are happy to share our joined publication with the Neudecker group about Computational #highpressure #chemistry #DFT #review #atomisticsimulations

Our new paper details the implementation of a generalized JEDI strain analysis, which can be used to rationalize chemical processes in mechano- and high-pressure chemistry of molecular and periodic systems. pubs.aip.org/aip/jcp/articl…

How can Hubbard U corrections improve upon DFT in covalent bonding regimes? We present a refined yet straightforward approach to DFT+U that overcomes existing limitations by taking into account the orbital dependency of the correction. Read here: doi.org/10.1021/acs.jc…

After a successful five days, during which we discovered cutting-edge research in #AlzheimersDisease, the #AAIC24 comes to an end. Did you enjoy it as much as we did?

Joint effort of decorating the 2024 HMI Christmas tree 🎄🎄🎄