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Program

September 27, 2013 – Sala Azzurra, Scuola Normale Superiore, Pisa

8:30 – 9:00

Registration

9:00 – 9:15

Welcome address 

9:15 – 9:30

Conference opening 

9:30 – 10:10

Michele Parrinello, Proteins in Slow Motion

10:10 – 10:50

Maurizio PratoSynergy between experiment and theory in carbon nanostructure applications

10:50 – 11:20

Break

11:20 – 11:45

Roetti Medal and Scrocco Prize

11:45 – 12:00

Marta E. Alberto, Contribution of quantum-mechanical computations to the elucidation of the catalytic mechanisms of binuclear metallohydrolases

12:00 – 12.15 

Franco Egidi, Anharmonic ab-initio calculation of Resonance Raman spectra for molecules in solution

12:15 – 12.30

Leonardo Guidoni, Ab initio Molecular Dynamics in Natural and Artificial Photosynthesis

12:30 – 12.45

Cristina Tintori, Targeting protein-protein interactions as a promising anti-HIV strategy

12:45 – 13.00

Lorenzo Maschio, Analytical ab initio Raman Spectra of Crystalline Systems

13:00 – 14:30

Lunch

14:30 – 15:10

Emily CarterMechanisms of Photoelectrochemical Reduction of Carbon Dioxide and Water Splitting from First Principles

15:10 – 15:50

Carlo Adamo, Theoretical tools for the design of energy related devices

15:50 – 16:15

Break

16:15 – 16:30

Ivan Carnimeo, Approximated time-independent methods for computational Infrared spectroscopy

16:30 – 16:45

Gaetano Giammarino, Propagation and termination mechanisms in polyolefin homogeneous catalysis

16:45 – 17:00

Claudio Greco, A DFT study of the influences of key amino acid mutation on local structural features and folding of Acetyl-CoA synthase

17:00 – 17:15

Teresa Fornaro, Computational spectroscopy studies of nucleobases and their complexes

17:15 – 17:30

Francesco Muniz-Miranda, DFT Strategies to Approach Gold and Silver Nanoclusters

17:30 – 17:45 

Oliviero Andreussi, Plasmon-Controlled Light-Harvesting: Design Rules for Biohybrid Devices via Multiscale Modeling 

17:45 – 18:00

Marika Savarese, Charge and proton transfer reactions: insight from theory 

18.00 – 19.00

Discussion forum and Conference closing

 


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by Dr. Radut.