Related events

International Conference on Computational Science and its Application

July 1st to 4th, 2020 - Cagliari, Italy, from (http://www.iccsa.org).

  1. workshop on Theoretical and Computational Chemistry and its Applications (TCCMA).
  2. workshop on Computational Astrochemistry (CompAstro)


1. Theoretical and Computational Chemistry and its Applications (TCCMA).

Organizers:

Noelia Faginas-Lago — noelia.faginaslago@unipg.it (Università degli Studi di Perugia),

Andrea Lombardi -- andrea.lombardi@unipg.it (Università degli Studi di Perugia)

Description:


•Molecular Dynamics simulations of complex systems; strategies for optimisation of the computing resources (parallel and distributed computing)

•Basis sets for the quantum treatment of molecular dynamics and intermolecular interactions in gas phase and gas-surface systems

•Simulations of energy transfer processes relevant for atmospheric chemistry, astrochemistry, gaseous flows and plasmas

•Stereodynamics and chirality of molecular collisions

•Dynamics and kinetics simulations reusing the computed electronic structure information generated by ab initio calculations from specific databases

•Design and implementation of accurate and fast algorithms for parallel and distributed platforms (such as Grids and Clouds) to maximize performances extending the available information on molecular interactions

•Quantum chemical calculations for molecular structure and dynamics (DFT, TDDFT, Car–Parrinello molecular dynamics....)

UPDATE (16/03/2020) : NEW DEADLINES!

· full paper or poster submission 26 April 2020 for General Track and Theoretical and Computational Chemistry and its Applications (TCCMA) session

· notification of Acceptance 24 May 2020;

· submission deadline for camera ready paper and registration 15 June 2020.

The deadline for paper submission is February 29, 2020.


2. workshop on Computational Astrochemistry (CompAstro)

Organizers: Cecilia Ceccarelli, Université Grenoble Alpes, cecilia.ceccarelli@univ-grenoble-alpes.fr

Stefano Falcinelli, Università degli Studi di Perugia, stefano.falcinelli@unipg.it

Marzio Rosi, Università degli Studi di Perugia, marzio.rosi@unipg.it

Dimitrios Skouteris, Master-up – Perugia, d.skouteris@master-up.it

Program Committee Members:

Daniela Ascenzi, Università degli Studi di Trento, daniela.ascenzi@unitn.it

Nadia Balucani, Università degli Studi di Perugia, nadia.balucani@unipg.it

Albert Rimola, Universitat Autònoma de Barcelona, Albert.Rimola@uab.cat

Piero Ugliengo, Università degli Studi di Torino, piero.ugliengo@unito.it

Fanny Vazart, Université Grenoble Alpes, fanny.vazart@univ-grenoble-alpes.fr


The themes of the Workshop include (but are not limited to):

  • Potential energy surfaces of species relevant in astrochemistry
  • Thermodynamics of reactions relevant in astrochemistry
  • Calculation of kinetic parameters associated with reactions relevant in astrochemistry
  • Modelling dust and icy grain structures and properties
  • Modelling processes at the grain surfaces

The deadline for paper submission is February 29, 2020. DEADLINE EXTENDED TO APRIL 26TH !


Information on submission of abstracts :

The authors can submit abstracts and papers to your session accessing the electronic submission site: http://ess.iccsa.org/

The user has to register before the submission.

From her/his personal page she/he will be able to submit first an abstract (phase 1), then a full paper (phase 2), selecting your session from the list of sessions in the submission forms.

The author will be able to update the paper until the submission deadline.

From this URL http://ess.iccsa.org/ you can monitor the number and the details of the submissions.

Please consider that the assignment is dynamic, and the papers will appear in your list only if the author selected your session in the last submission she/he made.