Two-week intensive college on electronic-structure and atomistic simulations to understand, predict, and design the properties of materials. Foundational topics cover first-principles methods, molecular dynamics and machine-learning approaches, with lectures and hands-on sessions.

Joint ICTP–MARVEL college bringing together graduate students and early-career researchers to learn the state-of-the-art for computational materials science in the age of AI.

Week 1 focuses on electronic-structure theory and spectroscopies (density-functional theory and density-functional perturbation theory, many-body perturbation theory, topology and Wannier functions, advanced functionals).

Week 2 covers statistical mechanics and atomistic simulation, including enhanced sampling and machine-learning interatomic potentials. Hands-on labs deploy open source community codes, with poster sessions and open-mic discussions.

Topics

Speakers
C. Clementi, Free University of Berlin, Germany
C. Dellago, University of Vienna, Austria
G. Galli, University of Chicago, USA
G. Kresse, University of Vienna, Austria
M. Rossi, University of Cambridge, UK

Lecturers
S. Baroni, SISSA, Italy
G. Bussi, SISSA, Italy
M. Calandra, University of Trento, Italy
M. Cococcioni, University of Pavia, Italy
N. Colonna, Paul Scherrer Institute, Switzerland
S. De Gironcoli, SISSA, Italy
P. Delugas, SISSA, Italy
A. Ferretti, CNR, Italy
R. Gebauer, ICTP, Italy
P. Giannozzi, University of Udine, Italy
A. Hassanali, ICTP, Italy
A. Laio, SISSA, Italy
E. Linscott, Paul Scherrer Institute, Switzerland
A. Marrazzo, SISSA, Italy
L. Monacelli, Sapienza University of Rome, Italy
S. Narasimhan, JNCASR, India
M. Palummo, Tor Vergata University of Rome, Italy
R. Resta, University of Trieste, Italy
I. Souza, University of the Basque Country, Spain
I. Timrov, Paul Scherrer Institute, Switzerland
D. Varsano, CNR, Italy

Posters: Poster sessions will take place in both week 1 and week 2.
Applicants are encouraged to submit an abstract.

Grants: A significant number of grants (travel and lodging, or only lodging) are available to support participants. There is no registration fee.