Theoretical & Computational Chemistry


MOLecules In Motion | MOLIM 2016

1st Training School 

"From Potentials to Dynamics: The Starting Journey"

March 30-April 3, 2016 
Curia Palace, Hotel Spa & Golf, Curia, Portugal




A. J. C. Varandas (Chair)
Rui Fausto (co-Chair)
Pedro Caridade (Secretary)

Objectives & Scope

The Training School “Molecular Potentials and Dynamics: The Starting Journey” is the first of a series of Training Schools supported by the COST program Molecules in Motion (MOLIM) (http://cost-molim.eu). The 1st MOLIM Training School (MTS1) will be held from March 30 to April 3, 2016, in Curia, Portugal. The scientific program of MTS1 focuses both on experimental and theoretical studies of molecular interactions, collision dynamics, spectroscopy, and related fields. MTS1 involves 11 invited trainers from 8 countries, who were asked to summarize at an introductory post-graduate level the topics of their presentations, with the objective of revealing the basic knowledge for the trainees to understand the current thinking of leading research within their field. It is hoped that their authoritative contributions presented at MTS1 will also appeal to non-specialists through their clear and broad introductions to the field as well as references to the accessible literature. MTS1 will comprise contributions covering a wide range of topics, from electronic and ro-vibrational structure theory of molecules and clusters to dynamics of elastic, inelastic and reactive encounters between atoms, molecules, ions, clusters, and surfaces.

It will also have a section for the trainees to report their own ongoing work via presentation of posters at the end of every day during the TS.

Programme and Trainers

  • Potential energy surfaces, A. J. C. Varandas (Coimbra, Portugal) 
  • Symmetry – beyond point groups, Per Jensen (Wuppertal, Germany)
  • Rotation-vibration computations utilizing potential energy surfaces, A. G. Császár (Budapest, Hungary)
  • The DFT approach to potential energy surfaces & quantum chemistry, W.-T. Yang (Durham, USA)
  • Bridging the gap between molecular dynamics and quantum chemistry, T. J. Martinez (Stanford, USA)
  • The wave packet approach to reactive scattering & chemical kinetics, S. Adhikari (Calcutta, India)
  • Advanced spectroscopy in gas phase, I. Kleiner (Paris, France), J. L. Alonso (Valladolid, Spain) & Majdi Hochlaf (Paris, France)
  • Beyond the gas phase: vibrational spectroscopy in condensed phases, R. Fausto (Coimbra, Portugal) & G. Zerbi (Milano, Italy)

A total of 34 h of training!

Trainees are encouraged to present their ongoing research work in form of posters during special sessions of MTS1.


 March 29March 30March 31April 1April 2April 3
8:30-13:00António VarandasAttila CsászárTodd Martinez

José Luís Alonso

Majdi Hochlaf

Giuseppe Zerbi & Rui Fausto
15:00-19:30RegistrationPer JensenWeitao YangSatrajit AdhikariGiuseppe Zerbi & Rui Fausto
20:00-21:00RegistrationDinnerDinnerConference DinnerDinner
21:00PostersIsabelle KleinerPosters


Organization of travel & accommodation has to be done by the participants themselves. In relation to accommodation (room and meals), please contact the Official Travel Agency of the Training School:

Beta Viagens e Turismo Lda. /Grupo Go4Travel
Av. Afonso Henriques, Nº  45
P-3000-011 Coimbra (Portugal)
Phone: +351-239-793000
Fax: +351-239-401033
Email: comercial@beta-viagens.pt 
Web : www.beta-viagens.eu



The Training School will take place in Curia Palace, Hotel Spa & Golf, Curia, Portugal. Curia is a beautiful place with exuberant vegetation and nature, with striking parks and gardens. Curia is a famous Spa with a magnificent park, gardens and lake. Roughly 5 Km from Mealhada and 30 Km from Coimbra, Curia is located at the very heart of the Bairrada region, famous for its food and vineyards. Easy access is available by train or bus from Lisbon and Porto. See also: http://portugalvirtual.pt/_tourism/costadeprata/curia/index.html


Scientific correspondence:

Prof. A. J. C: Varandas
Prof. R. Fausto
Department of Chemistry, University of Coimbra
P-3004-535 Coimbra (Portugal)
Phones: +351-239-854441//+351-239-854483/+351-91-9236971
Fax: +351-239-827703
e-mails:  varandas@uc.pt // rfausto@ci.uc.pt

Congress Office:

P. Caridade
Department of Chemistry, University of Coimbra
P-3004-535 Coimbra (Portugal)
Phone: +351-239-852080
Fax: +351-239-827703
e-mail: pedrojcaridade@uc.pt

MOLIM 1st Training School Official Travel Agency:

Beta Viajens e Turismo Lda. /Grupo Go4Travel
Av. Afonso Henriques, Nº  45
P-3000-011 Coimbra (Portugal)
Phone: +351-239-793003
Fax: +351-239-401033
E:mail: comercial@beta-viagens.pt 
Web  : www.beta-viagens.eu

Curia Hotel & Spa

Tel. +351-231-510 300

 Fax. +351 231 515 531
GPS: N 40º25' 29.18 W 8º27' 46,40