NGMM2026
Next-Generation Molecular Modeling Summer School
Pula, Sardinia – July 27–31, 2026
Next-Generation Molecular Modeling:
Bridging Scales with HPC, AI, and Hybrid Methods
Summer School on Computational Molecular Modeling
The NGMM2026 Summer School aims to provide participants with a comprehensive overview of state-of-the-art computational approaches for exploring and understanding complex material and biomolecular systems across spatial, temporal and other scales — from their electronic and atomistic descriptions to the collective dynamics of mesoscopic molecular assemblies and continuum models.
The school will explore how molecular modeling and computational techniques can drive innovation and solve real-world problems in life sciences and materials design, integrating experimental and simulation data to unravel physicochemical properties, structure–function relationships, reaction mechanisms, and biological dynamics. Participants will learn how emerging simulation techniques — including HPC-enabled molecular simulations, enhanced sampling, Inverse problem-solving, AI and XAI tools, stochastic modeling and hybrid and integrative multiscale methods — are revolutionizing our ability to describe, interpret, and predict the behavior of materials and biomolecular systems in their complex environments.
Key Goals
A key goal of NGMM2026 is to bridge communities by:
- Connecting method developers and researchers,
- Promoting interdisciplinary dialogue among chemists, physicists, biologists and data scientists,
- Fostering mutual understanding and enabling translation of ideas between computational and experimental communities.
School Format
Through a combination of plenary lectures and hands-on tutorials, participants will gain both conceptual insight and practical experience with next-generation computational tools for materials, molecular, and biological modeling — within the inspiring environment of the Science Park and nature reserve of Pula, Sardinia.
When It Takes Place
The Summer School runs from Monday, July 27 to Friday, July 31, 2026.
The program spans five intensive days, combining lectures, tutorials, and discussion sessions. Activities begin each morning at 09:15 and continue until the late afternoon, typically around 18:15. Daily schedules include coffee breaks to reset between sessions and a lunch break from approximately 12:45 to 14:15. Below is the preliminary program.
Venue & How to Get There
Maria Valentini (CRS4)
Enrico Pieroni (CRS4)
Francesca Mocci (University of Cagliari)
Aatto Laaksonen (Petru Poni Institute of Macromolecular Chemistry, Romania)
Dario Estrin (University of Buenos Aires)
Leticia González (University of Vienna).
Maria Valentini (CRS4)
Enrico Pieroni (CRS4)
Francesca Mocci (University of Cagliari)
Claudio Melis (University of Cagliari)
Giancarlo Cappellini (Univ. of Cagliari)
Roberto Cardia (CNR Napoli)
Gareth Tribello (Queen’s University Belfast)
Valerio Rizzi (University of Geneva)
Dario Estrin (University of Buenos Aires)
Santiago Di Lella (University of Buenos Aires)
Petra Kührová (Palacky University, Olomouc)
Leticia González (University of Vienna)
Markus Oppel (University of Vienna)
Lu Zhong Yuan (Jilin University)
Aatto Laaksonen (Petru Poni Institute of Macromolecular Chemistry, Romania)
Paola Fossa (University of Genova)
Maria Valentini (CRS4) • Enrico Pieroni (CRS4) • Francesca Mocci (University of Cagliari)
Who can apply
NGMM2026 is open to graduate students, PhD candidates, and early-career researchers who wish to deepen their expertise in advanced molecular modeling. The school welcomes applicants from a wide range of scientific backgrounds, especially those interested in working across disciplinary boundaries. Knowledge of a basic linux environment is an advantage but not a prerequisite.
Motivated undergraduate and master’s students may also be considered as students or auditors, provided they demonstrate strong interest and suitability for the program.
Participants may come from fields such as chemistry, physics, biology, biomedical sciences, computer science, and data science, as well as related areas. The program particularly encourages applications from:
- Graduates and doctoral students involved in method development or computational modeling,
- Young experimental researchers looking to integrate computational perspectives into their work,
- Biomedical and clinical trainees, including those exploring translational applications of molecular modeling, and
- Students engaged in interdisciplinary projects connecting computational, experimental, and biomedical approaches.
Participation is free, but students are responsible for their own transportation and accommodation.
The deadline for submitting applications is April 6, 2026.
Registration Form
The school is funded by “Progetto T4-AN-10 Hybrid Hub (H2UB), Finanziamento a valere sul PSC Salute, – FSC 2014-2020 – Traiettoria 4 – Biotecnologie, bioinformatica e sviluppo farmaceutico, Ministero della Salute”.
For any information, please do not hesitate to contact us at the email address ngmm2026@crs4.it
