BEGIN:VCALENDAR
VERSION:2.0
PRODID:-//CERN//INDICO//EN
BEGIN:VEVENT
SUMMARY:Joint ICTP MARVEL College: Materials simulations in the age of AI 
 | (smr 4220)
DTSTART;VALUE=DATE-TIME:20260601T060000Z
DTEND;VALUE=DATE-TIME:20260612T200000Z
DTSTAMP;VALUE=DATE-TIME:20260617T131927Z
UID:indico-event-11146@ictp.it
DESCRIPTION:\n	 \nAn ICTP Meeting \n	Two-week intensive college on elect
 ronic-structure and atomistic simulations to understand\, predict\, and de
 sign the properties of materials. Foundational topics cover first-principl
 es methods\, molecular dynamics and machine-learning approaches\, with lec
 tures and hands-on sessions.\n	Joint ICTP–MARVEL college bringing togeth
 er graduate students and early-career researchers to learn the state-of-th
 e-art for computational materials science in the age of AI.\n	Week 1 focus
 es on electronic-structure theory and spectroscopies (density-functional t
 heory and density-functional perturbation theory\, many-body perturbation 
 theory\, topology and Wannier functions\, advanced functionals).\n	Week 2 
 covers statistical mechanics and atomistic simulation\, including enhanced
  sampling and machine-learning interatomic potentials. Hands-on labs deplo
 y open source community codes\, with poster sessions and open-mic discussi
 ons.Topics\n\n		Density-functional theory (DFT) and beyond\n	\n		Linear re
 sponse and lattice dynamics (DFPT\, phonons)\n	\n		Electronic\, vibrationa
 l and core-level spectroscopies\n	\n		Many-body perturbation theory (GW\, 
 BSE)\n	\n		Topology and polarization (Berry phases\, Wannier functions)\n	
 \n		Advanced functionals (Hubbard\, Koopmans)\n	\n		Introduction to statis
 tical sampling by molecular dynamics\n	\n		Sampling of different ensembles
  (thermostats\, barostats\, replica exchange)\n	\n		Rare events and enhanc
 ed sampling (metadynamics\, accelerated MD)\n	\n		Machine learning for mat
 erials (descriptors\, potentials\, training and validation)\n	\n		Advanced
  ML for sampling (fine tuning\, direct force prediction\, force-free integ
 ration)\n\n	Speakers\n	C. Clementi\, Free University of Berlin\, Germany\n
 	C. Dellago\, University of Vienna\, Austria\n	G. Galli\, University of Ch
 icago\, USA\n	G. Kresse\, University of Vienna\, Austria\n	M. Rossi\, Univ
 ersity of Cambridge\, UKLecturers\n	S. Baroni\, SISSA\, Italy\n	G. Bussi\,
  SISSA\, Italy\n	M. Calandra\, University of Trento\, Italy\n	M. Cococcion
 i\, University of Pavia\, Italy\n	N. Colonna\, Paul Scherrer Institute\, S
 witzerland\n	S. De Gironcoli\, SISSA\, Italy\n	P. Delugas\, SISSA\, Italy\
 n	A. Ferretti\, CNR\, Italy\n	R. Gebauer\, ICTP\, Italy\n	P. Giannozzi\, U
 niversity of Udine\, Italy\n	A. Hassanali\, ICTP\, Italy\n	A. Laio\, SISSA
 \, Italy\n	E. Linscott\, Paul Scherrer Institute\, Switzerland\n	A. Marraz
 zo\, SISSA\, Italy\n	L. Monacelli\, Sapienza University of Rome\, Italy\n	
 S. Narasimhan\, JNCASR\, India\n	M. Palummo\, Tor Vergata University of Ro
 me\, Italy\n	R. Resta\, University of Trieste\, Italy\n	I. Souza\, Univers
 ity of the Basque Country\, Spain\n	I. Timrov\, Paul Scherrer Institute\, 
 Switzerland\n	D. Varsano\, CNR\, ItalyPosters: Poster sessions will take 
 place in both week 1 and week 2.\n	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 registrat
 ion fee.\n\n	\n	 \n\n//indico.ictp.it/event/11146/
LOCATION:ICTP Budinich Lecture Hall (LB)
URL://indico.ictp.it/event/11146/
END:VEVENT
END:VCALENDAR