Dear Colleague, this is an invitation to submit a contribution to the “Theoretical and Computational Chemistry and its Applications (TCCMA)” of the 19th International Conference on Computational Science and Applications (ICCSA 2019, http://www.iccsa.org/ <http://www.iccsa.org/>) to be held on July 1 - 4, 2019 in Saint Petersburg (Russia). All accepted papers will be included in the Springer Lecture Notes in Computer Science (LNCS, http://www.springer.com/gp/computer-science/lncs <http://www.springer.com/gp/computer-science/lncs> series and indexed by Scopus, EI Engineering Index, Thomson Reuters Conference Proceedings Citation Index (included in ISI Web of Science), and several other indexing services. The papers will contain linked references, XML versions and citable DOI numbers. Submitted papers will be subject to stringent peer review by at least three experts and carefully evaluated based on originality, significance, technical soundness, and clarity of exposition. Please note that the deadline for abstract submission will be extended to Feb 17, 2019. The themes of the Workshop include (but are not limited to): • 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....) Organizers: Noelia Faginas-Lago — noelia.faginaslago@unipg.it (Università degli Studi di Perugia), Andrea Lombardi Università degli Studi di Perugia) andrea.lombardi@unipg.it International Program Committee: Antonio Laganà, master-up srl, Vincenzo Aquilanti, Università di Perugia, Marzio Rosi, Università di Perugia, Nadia Balucani, Università di Perugia,Fernando Pirani, Università di Perugia, Federico Palazzetti, Università di Perugia, Stefano Evangelisti, Université de Toulouse III, Massimiliano Bartolomei, CSIC-Spain, Antonio Aguilar, Universitat de Barcelona, Cecilia Coletti, Università Chieti-Pescara, Roger Anderson, University of California Santa Cruz, Ricardo Gargano, Universidade de Brasília, Demetrio A. da silva Filho, Universidade de Brasília, See the attached file for author’s instructions. ==================================================================== To the authors: You can submit abstracts and papers to your session accessing the electronic submission site: http://ess.iccsa.org/ <http://ess.iccsa.org/>. Instructions to prepare and submit papers can be found on the web site (http://www.iccsa.org/ instructions-for-authors) If you are not registered, you must register before the submission. From the personal page authors are able to submit first an abstract (phase 1), then a full paper (phase 2), selecting the session from the list of sessions in the submission forms. The paper can be updated until the submission deadline. If you have some doubts or problems do not hesitate to contact the organizers. ICCSA CONFERENCE: The 19th International Conference on Computational Science and Applications (ICCSA 2019) will be held on July 1 - 4, 2018 in Saint Petersburg, Russia. ICCSA 2019 will be the next event in a series of highly successful International Conferences on Computational Science and Its Applications (ICCSA), previously held in Melbourne, Australia (2018), Trieste, Italy (2017), Beijing. China (2016), Banff, Canada (2015), Guimaraes, Portugal (2014), Ho Chi Minh City, Vietnam (2013), Salvador de Bahia, Brazil (2012), Santander, Spain (2011), Fukuoka, Japan (2010), Suwon, Korea (2009), Perugia, Italy (2008), Kuala Lumpur, Malaysia (2007), Glasgow, UK (2006), Singapore (2005), Assisi, Italy (2004), Montreal, Canada (2003), and (as ICCS) in Amsterdam, The Netherlands (2002) and San Francisco, USA (2001). The first ICCSA conference was co-organized by C.J.K. Tan (UK) and M. Gavrilova (U of Calgary, Canada) in 2003. Computational Science is a main pillar of most of the present research, industrial and commercial activities and plays a unique role in exploiting Information and Communication Technologies as innovative technologies. The ICCSA Conference offers a real opportunity to discuss new issues, tackle complex problems and find advanced enabling solutions able to shape new trends in Computational Science. This conference is sponsored by: Monash University, Australia; The University of Perugia, Italy; Kyushu Sangyo University, Japan; The University of Basilicata, Italy; University of Minho, Portugal --------- Before printing this e-mail ask yourself if you really need a hard copy. We are all responsible for the environment. ------------------------------------------------------------------------------ Dr. Noelia Faginas Lago Dipartimento di Chimica,Biologia e Biotecnologie Università di Perugia Via Elce di Sotto, 8 06123, Perugia (Italy) tel: +390755855527 fax:+390755855606 e-mail: piovro@gmail.com <mailto:piovro@gmail.com> , noelia.faginaslago@unipg.it <mailto:noelia.faginaslago@unipg.it> Skype:noelia19750852 <skype:noelia19750852>