BioExcel / EuroCC workshop on Biomolecular Simulations: Baltic Edition

01 About the Workshop

Our fifth Ambassador Program workshop is jointly organised with the Biotechnology Centre at the Silesian University of Technology in Poland. The hands-on event is aimed at PhD. students and post-docs and focuses on the BioExcel core codes: GROMACS, PMX and BioBB.

Open to PhD students and post-doctoral researchers affiliated with EuroHPC Joint Undertaking member institutions. Applicants from Poland and Baltic countries are given priority. Maximum 40 participants.

02 Topics

- Advanced MD simulations including enhanced sampling methods
- Free Energy calculations

03 Preliminary Programme

Molecular Dynamics pre-workshop with Alessandra Villa will take place before the conference 28.08.2026 (online).

Day 1 · Sep 8

12:00–13:00

Registration of participants

13:00–13:30
Welcome
Artur Góra & Damian Borys

13:30–13:45
Pre-workshop wrap-up

13:45–14:45
Free energy (lecture)
Bert de Groot

14:45–15:30

Lunch

15:30–17:30
PMX (hands-on)
Bert de Groot

18:00–19:30

Dinner

19:30–21:00
Poster session

Day 2 · Sep 9

09:00–10:00
BioBB - basic (lecture)
Adam Hospital

10:00–12:00
BioBB - basic (hands-on)
Adam Hospital

12:00–12:45

Lunch

12:45–13:45
GROMACS – Enhanced Sampling (lecture)
Cathrine Bergh

13:45–14:15

Coffee break

14:15–16:15
GROMACS – Enhanced Sampling with AWH (hands-on)
Cathrine Bergh

16:15–16:30
Closing remarks

04 How to Apply

Applications are open to PhD students and post-doctoral researchers affiliated with EuroHPC Joint Undertaking member institutions. Please submit the following documents via the registration form:

CV – maximum 2 pages
Motivation Letter – why you wish to attend and how the workshop relates to your research
Research interests outline – max. half a page
Poster abstract

Pre-requirements: Due to the advanced character of the course, all applicants are expected to have completed basic MD simulation courses prior to attendance.

05 Registration

Registration fee

€90

Opens

15 May 2025

Deadline

30 June 2026

Capacity

40 places

The fee covers lunches, coffee breaks and dinner. Accepted applicants will be notified by e-mail.

06 Speakers & Trainers

Alessandra Villa

Introduction to MD

Alessandra Villa

Pre-workshop Introduction to MD

Alessandra is working at KCSC - KTH center for scientific computing, with focus on user-driven training and development of GROMACS software package and a member of the Molecular Biophysics Stockholm. She coordinates European Center of Excellence BioExcel and PI of GANANA project, Europe-India Partnership for Scientific High-Performance Computing.

Bert de Groot

PMX

Bert de Groot

PMX

Bio

Adam Hospital

BioBB

Adam Hospital

BioBB (basic)

Adam Hospital is a Postdoctoral fellow at the Molecular Modeling and Bioinformatics Unit (MMB) – Institute for Research in Biomedicine in Barcelona (IRB-Barcelona) and research software engineer for the Spanish National Institute of Bioinformatics (INB, ELIXIR-ES). He has been involved in scientific projects at IRB and at the Barcelona Supercomputing Center (BSC), and he is currently leading the workflows team in the BioExcel CoE.

Cathrine Bergh

GROMACS

Cathrine Bergh

GROMACS – Enhanced Sampling

Bio

07 Travel & Accommodation

From Katowice Airport to Gliwice: The easiest way is by direct bus or train. Buses run regularly between the airport and Gliwice; trains are also available from the nearby "Pyrzowice Airport" station.

At the venue: After arriving in Gliwice, the conference venue can be reached by taxi or local public transport.

Accommodation: We recommend staying in Gliwice city centre, near the railway station, or close to the Silesian University of Technology campus.

More detailed transport and accommodation information is available in the Attachments section below.

08 Scientific Committee

Gerrit Groenhof

University of Jyväskylä, Finland

Raitis Bobrovs

Raitis Bobrovs obtained his PhD in chemistry from the University of Latvia and continued as a postdoc at the Latvian Institute of Organic Synthesis. He is currently a senior researcher and group leader at the Latvian Institute of Organic Synthesis. His work is primarily centred on medicinal chemistry and computational structure-based drug design, with a specific focus on developing inhibitors for antimalarial, antibacterial and cancer targets.

Artur Góra

Silesian University of Technology, Poland

09 Contact Organisers

prof. dr hab. Artur Góra

Biotechnology Center

Artur.Gora@polsl.pl

+48 32 237 16 59

Dr hab. inż. Damian Borys

Automatic Control, Electronics & Computer Science

Damian.Borys@polsl.pl

+48 32 237 29 80

Attachments

Practical information about transfer and accommodation Pobierz