Program

 Tuesday, 3rd October
9:30-9:50 Registration
9:55-10:15Welcome  and   starting   remarks
Javier Luque, Universitat de Barcelona
Carme Verdaguer, Fundació Bosch i Gimpera
10:15-10:45
(25' + 5')
Misbah Sarwar, Johnson Matthey:
"Atomistic Modelling: An Industrial Perspective"
10:45-11:05
(15' + 5')
Ignacio Viciano, Mind the Byte
Novel Computational Workflow to the Rational Design of PPI Inhibitors. The Challenge of Inhibiting E-cadherin/N-cadherin interactions
11:05-11:35
(25' + 5')
Georg Huhs, BSC
NOMAD - revealing the value of material science Big-Data
11:35-11:50
(15' + 5')
Pere Puigdomènech, HPCNow!
Future trends in High Performance Computing
11:50-12:30
(35' + 5')
Cristina Rincón, Repsol
Computational Chemistry applications in Repsol
12:30-13:30
Lunch break
13:30-14:00
(25' + 5')
Rosalia Pascual, Esteve
"The role of Computational Chemistry in Drug Discovery"
14:00-14:20
(15' + 5')
Ole Carstensen, SCM. Chemistry & Materials with the ADF Modeling Suite
14:20-14:50
(25' + 5')
Jaume Mir, Biochemize
Biocatalysis and microbial fermentation: new trends for the improvement of chemical synthesis, operating at nanoscales
14:50-15:10
(15' + 5')
Miguel Terol, LENOVO
15:10-15:20Closing remarks
Francesc Illas, XRQTC director