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International Workshop: "Computational Chem ... (No replies)

elora
1 year ago
elora 1 year ago

Meeting: "Computational Chemistry Modelling and Simulations of Finite Systems"
Date: 12-13 September 2023
Time: 14h00-18h30 (UTC+1)
Website:  https://indico.hpc.uevora.pt/event/64/

 

The HPCUE Centre and the HPC Chair of the University of Évora are jointly organizing the international online meeting "Computational Chemistry Modelling and Simulations of Finite Systems" to be held on the 12-13th September 2023. The workshop will occur in 2 afternoons, starting at 2:00 pm and ending around 6:30 pm (Times in GMT+1/UTC+1 Time-zone), during these two days.

The list of invited speakers includes:

Célia Guerra, Vrije Universiteit Amsterdam, The Netherlands
Christoph Riplinger, Fast & Accurate Computational Chemistry Tools (FAccTS ) GmbH, Germany
Emilio Núñez, University of Santiago de Compostela, Spain
Mar Ríos-Gutiérrez, University of Valencia, Spain
Nuno Bandeira, Biosystems & Integrative Sciences Institute, University of Lisbon, Portugal
Rachel Crespo-Otero, University College of London, UK
Robert Zalesny, Wrocław University of Science and Technology, Poland
Stefan Grimme, Mulliken Center for Theoretical Chemistry, Universität Bonn, Germany

 

Registration and submission of abstracts is open.

Could you please circulate this announcement among your colleagues and possible interested participants? 

Scientific Topics

The meeting program covers several fundamental topics in the field employing different theoretical methodologies which are best fitted for the properties to be probed and are implemented in software packages:

Adsorption phenomena
Supramolecular chemistry
Reaction mechanisms
Linear and non-linear optical and optoelectronic properties
Time dependent processes
Biological/Biochemical systems
New methodologies

On behalf of the Scientific Organizing Committee

Alfredo Palace Carvalho, José Richard Gomes, Estelina Lora da Silva & Miguel Avillez




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Ab initio (from electronic structure) calculation of complex processes in materials