Computational Materials Science Group

Theory and Simulations of Complex Materials @UniJena

[Computational Materials Science Group @CMSGFSU]

🎉 Our collaborative article “Resonance Effect in Brunel Harmonic Generation in Thin Film Organic Semiconductors”, published in Advanced Optical Materials, has ranked in the Top 10% most-viewed papers of 2023!

https://t.co/vj6g9FUNnA

[Turbomole @TurbomoleX]

📢 Job Opportunity at the University of Wuppertal

🖊️ Application Deadline: April 7, 2025
🔗 Apply online via (position no. 25055): https://t.co/6i0NER2JJf
📩 Contact: Prof. Dr. Hilke Bahmann ([email protected])

A 1-year postdoc position is available in the group of Hilke Bahmann at the university of Wuppertal. The candidate should ideally have experience with coding in the #Turbomole program package but should at least have excellent Fortran skills. The main task of the candidate will be the implementation of flexible hybrid functionals for periodic boundary conditions into Turbomole.

You can either apply directly at https://t.co/g61URgy5Vz und no. 25055 or contact Hilke (https://t.co/UP6L7L6HW0) if you have further questions.

[Computational Materials Science Group @CMSGFSU]

🚨 PhD Opportunity in Computational Materials Science 🚨

Join our research group! Work on cutting-edge projects in computational materials science, simulation workflows, and advanced material simulations.

https://t.co/suNRUBvtaE

[Computational Materials Science Group @CMSGFSU]

Workflows are transforming data processing, enabling efficient simulations and collaboration while adhering to FAIR principles. Tools like pyiron and SimStack streamline research and innovation. 🌐🔬

https://t.co/yF8AITQjbZ

#MaterialDigital

[Turbomole @TurbomoleX]

🚀 Exciting news! TURBOMOLE 7.9 is here, packed with groundbreaking features for quantum chemistry:

🌟 Highlights:
• Advanced Density Functional Embedding Theory (DFET) for multi-scale modeling.
• Relativistic EPR hyperfine couplings with scalar and non-scalar methods.
• Real-Time TD-DFT extended to embedded systems.
• Non-linear Bethe-Salpeter equation for hyperpolarizability studies.
• Cutting-edge density functional approximations (CHYF) with unmatched stability.

💻 Enhanced Usability:
• Improved GPU performance and multi-GPU support.
• Adaptive grids for multicomponent DFT.
• User-friendly updates to TmoleX with new periodic basis sets.

📘 No known issues, ensuring a smooth experience!

Start exploring TURBOMOLE 7.9 today! #QuantumChemistry #TURBOMOLE #ResearchInnovation

[Computational Materials Science Group @CMSGFSU]

🔍 Discover our newest groundbreaking research on optical gaps in ionic materials! GW/BSE-in-DFT and CC2-in-DFT deliver exceptional accuracy with low computational costs.
#ComputationalChemistry #QuantumChemistry #DFT

📖 Read here: https://t.co/Oo4eYy2g0V

[Manas Sharma, PhD 👨‍💻👨‍🔬 @ManasSharma07]

Excited to meet all the amazing developers of #Turbomole at the Turbomole 2024 Conference

#kickoff

[Manas Sharma, PhD 👨‍💻👨‍🔬 @ManasSharma07]

David Waroquier from @matgenix discussing the challenges of babysitting simulations and the need for automation to handle high-throughput molecular simulations efficiently. #Automation #MolecularSimulations

[Computational Materials Science Group @CMSGFSU]

Exciting breakthroughs and vibrant discussions at the #TURBOMOLE2024 Meeting in Oxford, UK!
Exploring the future of computational chemistry with brilliant minds from around the globe. 🧪🌍 #ComputationalChemistry #ScientificConference

[Computational Materials Science Group @CMSGFSU]

🌟Dive into our cutting-edge research on using the Adiabatic Connection Random Phase Approximation (RPA) to refine electron-nucleus hyperfine coupling constants. Unlock new insights into open-shell systems across various chemical domains.

https://t.co/NaDMXEVUhG

[Computational Materials Science Group @CMSGFSU]

🚀 Ready to shape the future of materials science? Join us at the University of Jena! We’re seeking a passionate Researcher in Computational Materials Science. Apply by September 13, 2024! 🌟 #ScienceJobs #Research #MaterialsScience

https://t.co/ABvNqr5w1P

[Computational Materials Science Group @CMSGFSU]

🎉🔥 The Computational Materials Science Group at Friedrich Schiller University of Jena had an amazing grill party! Great food, fantastic company, and lots of laughter. Thanks to everyone who made it memorable! 🥳🍔🌭 #GrillParty #TeamBuilding #CompMatSci #Jena #GoodTimes

[Computational Materials Science Group @CMSGFSU]

🚀 Join Our Research Team! 🚀

Friedrich-Schiller-Universität Jena is hiring 12 doctoral researchers in antimicrobial biomaterials. Engage in cutting-edge research with a multidisciplinary team in Jena, Germany.

Apply by Sept 9, 2024: https://t.co/e6OrEenz07

[Manas Sharma, PhD 👨‍💻👨‍🔬 @ManasSharma07]

Creating some cool graphics for my presentation 👨‍💻
#CompChem

[Computational Materials Science Group @CMSGFSU]

Yeah...

[Computational Materials Science Group @CMSGFSU]

🚀 Unlock the Secrets of Glass! 🚀

Explore SciGlass Next – the world’s largest glass database with over 422,000 glasses and melts. Access interactive data visualizations, optical spectra, and advanced property predictors.

https://t.co/4vHUapvYrm

#Glass #MaterialsResearch

[Computational Materials Science Group @CMSGFSU]

🚀 Discover the Future of Glass Technology! 🚀

Check out the latest breakthrough in glass property predictions using ab initio-derived descriptors. This study shows how these methods enhance predictive accuracy and reduce input dimensionality.

https://t.co/YR8dImmIAK

#Glass

[Computational Materials Science Group @CMSGFSU]

🚀 Join TURBOMOLE Meeting 2024! 🚀

Connect with users and developers, explore new features, and shape the future of computational chemistry! 📅 Sept 16-19, 2024, at St Hilda’s College, Oxford. Free registration with meals included.

https://t.co/TckH9VdKIR

#TURBOMOLE #Chemistry

[Computational Materials Science Group @CMSGFSU]

We currently have 12 PhD positions available! Also in our group! Apply now!

[Alexander Knebel @KnebelAlexander]

We currently have 12 PhD positions available! Here are four quick tips:
1) Include a cover letter - we want to learn about you.
2) Stand out from the crowd with a unique and creative CV.
3) Be humble and avoid exaggerations.
4) Apply now!
https://t.co/E2C8mA2tIM

[Computational Materials Science Group @CMSGFSU]

When you have ChatGPT write the introduction and both the reviewers and the editor haven't even read the manuscript... 😂