International Autumn School on CP2K-GROMACS for Multiscale Atomistic Simulation (Sept 29 - Oct 1, 2025)

[Xin Wu]

Dear All,

We are pleased to invite you to International Autumn School on CP2K-GROMACS for Multiscale Atomistic Simulation (Sept 29 - Oct 1, 2025) in Paderborn, Germany. This 3-day event offers a unique opportunity to learn and explore classical and ab initio molecular dynamics, as well as hybrid QM/MM computations for biomolecular systems and complex materials on HPC clusters.

Highlights:

• Keynote lectures and hands-on exercises on CP2K, led by Prof. Dr. Thomas D. Kühne (Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf, TU Dresden)
• Keynote lectures and hands-on exercises on GROMACS, led by Prof. Dr. Helmut Grubmüller (Max Planck Institute for Multidisciplinary Sciences)
• Access to cutting-edge HPC systems at Paderborn Center for Parallel Computing (PC2)
• Networking opportunities with leading scientists to discuss the latest advancements and foster collaborations.

Further details and registration: https://events.uni-paderborn.de/e/CP2K-GROMACS

We would greatly appreciate it if you could share this announcement with colleagues and students who might be interested.

Looking forward to welcoming you in Paderborn!

Best regards,

The PC2 and CASUS Teams

[Léon Luntadila Lufungula]

Dear Xin Wu,

Thanks for the invitation for this interesting opportunity. 

I do have several questions regarding the specifics:

1) Is this only for students in Germany? It is stated that "This course is free of cost for members of German universities or publicly-funded research institutions in Germany." but I don't see any details about non-German students who might want to attend...

2) Is the summer school only on-site or can it also be attended online?

3) It is stated that the school is catered to "modeling biomolecular systems, complex materials, and chemical reactions" but I am wondering what is understood under complex materials? I am working on a TiO2 slab with organic molecules adsorbed on the surface in an aqueous environment and am thus wondering if this school would be interesting for my kind of systems?

Looking forward to your response!

Best regards,

Léon

[Michela Benazzi]

Hello everyone!

Will there be an online option for attendance? I am located in North America, but I would find it really beneficial to attend.

Thank you,

Michela

---

From: cp...@googlegroups.com <cp...@googlegroups.com> on behalf of Léon Luntadila Lufungula <Leon.luntad...@uantwerpen.be>
Sent: Thursday, June 26, 2025 9:54 AM
To: cp2k <cp...@googlegroups.com>
Subject: [CP2K:21586] Re: International Autumn School on CP2K-GROMACS for Multiscale Atomistic Simulation (Sept 29 - Oct 1, 2025)

 

--
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+uns...@googlegroups.com.
To view this discussion visit https://groups.google.com/d/msgid/cp2k/3be893cf-729c-4720-a4c3-7da800370c7dn%40googlegroups.com.

[Xin Wu]

Dear Léon,

Thank you for your interest in this CP2K-GROMACS event and for your thoughtful questions. We are happy to clarify the details for you.

1. This event is free of charge for academic researchers. On the registration page (https://events.uni-paderborn.de/e/CP2K-GROMACS) this sentence now reads: "This course is free of cost for members of German universities or publicly-funded research institutions."
2. Yes and no, we are trying to make the Lecture parts of this event online for attendees, but cannot promise anything at the moment.
3. Many atomistic simulation methods and techniques available in CP2K and GROMACS will be covered in this event for a broad range of systems, including interfaces and solvated systems like yours. So your work on TiO2 slabs with organic molecules in an aqueous environment certainly fits the scope of the school!

Please don’t hesitate to reach out if you have further questions. We’d be delighted to have you join this event!

Best regards,
Xin Wu

[Xin Wu]

Dear Michela,

Thank you for your interest in our event! We understand the difficulties to join this school from North America. Currently we are trying to make the Lecture parts of this school online for attendees, but cannot promise anything at the moment.

Please don't hesitate to reach out if you have further questions.

Best regards,

Xin Wu

[Michela Benazzi]

Thank you very much, Dr Wu!

Get Outlook for iOS

---

From: cp...@googlegroups.com <cp...@googlegroups.com> on behalf of Xin Wu <herr...@gmail.com>
Sent: Monday, June 30, 2025 2:23:46 AM
To: cp2k <cp...@googlegroups.com>
Subject: Re: [CP2K:21598] Re: International Autumn School on CP2K-GROMACS for Multiscale Atomistic Simulation (Sept 29 - Oct 1, 2025)

 

To view this discussion visit https://groups.google.com/d/msgid/cp2k/ee5df2ce-c0d3-4333-829e-94bd47d38c31n%40googlegroups.com.