The Abdus Salam International Centre for Theoretical Physics (ICTP) and the International Atomic Energy Agency (IAEA) will jointly organize this School and Workshop. The one-week event at ICTP in Trieste, from 16 to 20 April 2018, will provide training and information exchange for computational scientists working on models and data for atomic, molecular and materials processes relevant to fusion energy research, industrial plasmas, laser-produced plasmas, astrophysical plasmas, and warm and hot dense matter. The training is aimed at advanced Ph.D. students, postdocs and other young researchers. The information exchange will span several disciplines: from molecules to materials and from method developments to data treatments. Topics related to energetic events and electronically excited states are emphasized throughout the programme. The schedule features lectures by international experts, invited and contributed research talks, posters and discussion sessions, with ample time available for interaction and discussions.