[CP2K-user] [CP2K:21597] Re: International Autumn School on CP2K-GROMACS for Multiscale Atomistic Simulation (Sept 29 - Oct 1, 2025)

[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
On Thursday, June 26, 2025 at 3:54:09 PM UTC+2 Léon Luntadila Lufungula 
wrote:

> 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
>
> On Thursday, 26 June 2025 at 12:51:32 UTC+2 Xin Wu wrote:
>
>> Dear All,
>>
>> We are pleased to invite you to International Autumn School on 
>> CP2K-GROMACS for Multiscale Atomistic Simulation 
>> <https://events.uni-paderborn.de/e/CP2K-GROMACS> (*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 <https://www.casus.science/?page_id=4229> (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 <https://www.mpinat.mpg.de/grubmueller> (Max 
>>    Planck Institute for Multidisciplinary Sciences)
>>    - Access to cutting-edge HPC systems at Paderborn Center for Parallel 
>>    Computing (PC2) <https://pc2.uni-paderborn.de/>
>>    - 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
>>
>

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