IQCC Challenges - Live Talks #5: Density functional developments 30/09/2022 Recerca i transferència Jornada
L'Institut de Química Computacional i Catàlisi inicia una nova sèrie de xerrades virtuals per tal d'intentar mostrar els reptes en el camp de recerca on l'IQCC està involucrat, mitjançant les investigacions d'un dels investigadors principals. Es convida a un expert extern a impartir una xerrada juntament amb un dels investigadors júnior del IQCC. Aquestes visions complementàries posaran en relleu els actuals avenços sobre aquest tema, discutiran possibles problemes i proporcionaran una perspectiva de futur. ----------------- The IQCC is starting a new series of online talks to address challenges in the research fields where the IQCC is playing a role, through the investigations of one of the Principal Investigators. An external expert is invited to give a seminar, together with one of the junior researchers of the IQCC. These complementary views will highlight the current state-of-the-art on that topic, discuss possible bottlenecks and how they are being solved, and will provide an outlook into the future. The kickoff of the series will take place next week, Friday Sept 30, and deals with Density functional developments. The IQCC Challenges will be held online through the GoToMeet platform, and is free to attend to anyone interested in the topic. Please register if you would like to join us at the kickoff meeting next week, or have a look at the upcoming topics! IQCC Challenges - Live talks Denity functional developments, Sept 30 (M Swart, J. P. Perdew and F. F. Martins) 2:30-2:35 PM CET - Welcome and Introduction by Prof. Marcel Swart (IQCC-University of Girona, Spain) 2:35-3:30 PM CET - Prof. John P. Perdew (Temple University, Philadelphia, USA):More-Predictive Density Functionals, Symmetry Breaking, and Strong Correlation 3:30-4:00 PM CET - MSc. Frederico F. Martins (IQCC-University of Girona, Spain):Benchmarking density functionals on continued-fraction coupled cluster data Enzyme design, Nov 24, 2022 (S. Osuna) We are looking forward to seeing you at the IQCC Challenges - Live Talks!