XIIth-IIC-EMTCCM

European Master in Theoretical Chemistry and Computational Modelling

12th International Intensive Course

The teaching classroom-attended credits of up to 30 ECTS of the second year of the European Master in Theoretical Chemistry and Computational Modelling (EMTCCM) correspond to the International Intensive Course and to the tutorial work the student must carry out during a period of three more months at the corresponding home Institution.

Following recommendations from the International Committee of the EMTCCM in order to incorporate indications from Progress Evaluation Panel, the evaluation sessions will be preferably placed at Monday morning

Further evaluation will be based on a written plan of the research project/thesis to be sent to the Master Coordinator three months after the end of the Intensive Course.

AES: ADVANCED ELECTRONIC STRUCTURE THEORY
MDS: MOLECULAR DYNAMICS SIMULATIONS
ACT: ADVANCED COMPUTATIONAL TECHNIQUES
ACC: APPLIED COMPUTATIONAL CHEMISTRY
FIRST WEEK
  04-sep 05-sep 06-sep 07-sep 08-sep
Ttime Monday Tuesday Wednesday Thursday Friday
09:00-10:30 FREE ACT 1 AES 1 AES 2 AES 4
  Planelles Koch De Graaf Yánez
BREAK 10:45-12:15
11:00-12:30 FREE ACT 1 AES 1 AES 2 AES 4
  Planelles Koch De graaf Yánez
LUNCH 12:30-14:00
15:00-16:30 REGISTRATION Workshop ACT 1 AES 3 Workshop AES 2 Workshop AES 4
Technical issues Planelles Roca De Graaf Yánez
BREAK 14:00 onwards
17:00-18:30 REGISTRATION AES 3 Workshop AES 3 Workshop AES1 FREE
Technical issues Roca Roca Koch FREE


SECOND WEEK
  11-sep 12-sep 13-sep 14-sep 15-sep
Ttime Monday Tuesday Wednesday Thursday Friday
09:00-10:30 EVALUATION AES 6 AES 6 AES 7 MSD 1
Broer Broer Havenith Faraji
BREAK
11:00-12:30 AES 5 CONFERENCE 2 AES 6 AES 7 MSD 1
Sancho ACC Broer Havenith Faraji
LUNCH
15:00-16:30 AES 5 Ethics Workshop AES 6 AES 7 MSD1
Sancho Broer Havenith Havenith Faraji
BREAK
17:00-18:30 Workshop AES 5 FREE FREE Workshop AES 7 Workshop MSD 1
Sancho Havenith Faraji


THIRD WEEK
  18-sep 19-sep 20-sep 21-sep 22-sep
Ttime Monday Tuesday Wednesday Thursday Friday
09:00-10:30 EVALUATION ACC 1 MDS 3 MDS 6 MSD 6
Sánchez Faginas Worth Worth
BREAK
11:00-12:30 MDS 2 ACC 1 MDS 5 MDS 3 Workshop MSD 6
González Sánchez Moliner Faginas Worth
LUNCH
15:00-16:30 MDS 2 Workshop ACC 1 MDS 5 MDS 4 Workshop MDS 3
González Sánchez Moliner Lombardi Faginas
BREAK
17:00-18:30 Workshop MDS 2 CONFERENCE Workshop MDS 5 MDS 4 Workshop MDS 4
González MDS - Worth Moliner Lombardi Lombardi


FOURTH WEEK
  25-sep 26-sep 27-sep 28-sep 29-sep
Ttime Monday Tuesday Wednesday Thursday Friday
09:00-10:30 EVALUATION ACC 2 CS CS FREE
Gierschner Gaita Gaita
BREAK
11:00-12:30 ACT 2 ACC 2 CS CS EVALUATION
Gervasi Gierschner Gaita Gaita
LUNCH
15:00-16:30 ACT 2 ACC 2 Workshop ACC 3 Workshop ACT 3 colloquium ACC 4
Gervasi Gierschner Milian Clemente Gaita
BREAK
17:00-18:30 Workshop ACT 2 ACT 3 ACT 3 FREE FREE
Gervasi Clemente Clemente    


AES: ADVANCED ELECTRONIC STRUCTURE THEORY
AES 1Henrik KochU. TrondheimMultilevel Coupled Cluster Theory
AES 2Coen de GraafU. Goningen?Electron correlation with multiconfigurational wave function methods
AES 3Daniel RocaU. ValenciaElectronic Excited States and Computational Photochemistry
AES 4Manuel YáńezUAMWave function and Bonding Analysis
AES 5Juan C. SanchoU. AlicanteAdvanced DFT
AES 6Ria Broer/R. HavenithU. GroningenElectronic Structure of Solids and Surfaces
AES 7Remco HavenithU. GroningenIntroduction to Valence Bond Theory

MDS: MOLECULAR DYNAMICS SIMULATIONS
MDS 1Shirin FarajiU. GroningenExcited State dynamics and photochemistry
MDS 2Ŕngels GonzálezUABReaction Dynamics: Variational Transition State Theory
MDS 3Noelia FaginasU. PerugiaIntroduction to Classical Molecular Dynamics
MDS 4 Andrea LombardiU. PerugiaIntroduction to Classical Molecular Dynamics (II)
MDS 5Vicente MolinerU. Jaume i CastellonModelling Chemical Reactivity by Hybrid QM/MM MD Simulations
MDS 6Graham WorthU. College LondonQuantum and Classical Molecular Dynamics

ACT: ADVANCED COMPUTATIONAL TECHNIQUES
ACT 1Josep H. PlanellesU. Jaume I CastellonModeling the energy spectra of some nanosytems under different conditions
ACT 2Osvaldo GervasiU. PerugiaModern trends and challenges in high-performance/high-throughput Computing
ACT 3J. M. ClementeU. ValenciaParallelization and magnetism. Localized and delocalized magnetic systems

ACC: APPLIED COMPUTATIONAL CHEMISTRY
ACC 1Enrique SánchezU. SevillaQuantum and Statistical Methods to Model Solution Chemistry
ACC 2Johannes GierschnerIMDEAExcited States in Conjugated Organic Materials
ACC 3Begońa MiliánU. ValenciaExcited States in Conjugated Organic Materials (II)
ACC 4A. GaitaU. ValenciaQuantum Computation (colloquium)

ETHICS IN SCIENCE
Ethics Ria Broer U. Groningen Ethics in Science

COMMUNICATION SKILLS
CS Alex Gaita U. Valencia Writing skills
Sponsoring and help are acknowledged from: