Psi-k Summer School on Ab Initio Molecular Dynamics for Biomolecules

9th - 14th June 2013
Venue: Santo Stefano di Sessanio, Italy

Psi-k Summer School on Ab Initio Molecular Dynamics for Biomolecules to take place in Santo Stefano di Sessanio, Italy, 9-14 June 2013

The objective of this summer school is to introduce young researchers (PhD and postdocs) to the use of ab initio molecular dynamics for the study of biological systems. It will provide a practical guide on how to set up an ab initio study of a biomolecule starting from available experimental structures, within hybrid Quantum Mechanics/Molecular Mechanics schemes, based on density functional theory (DFT). An important part of the School will be devoted to the calculation of spectroscopic properties and to the common success and drawbacks of DFT in the specific case of biological matter. Moreover, the participation of experimental experts in structural biology and biomolecular spectroscopy will provide an overview of open problems in the field and on the relationships between experimental data and computational approaches. A combination of theory, computer implementation, test cases and successful state-of-the-art applications will be presented, complemented by practical simulation sessions.

Further information and the list of lecturers and topics can be found on the school website

The deadline for registration and poster abstract submission is 12th May 2013.
The number of participants is limited to about 30 students.

Accepted participants will be notified by 15th May 2013. A limited number of fellowships are available to fully cover the accommodation and food costs for the participants. The deadline for fellowship applications is 29th April 2013.

The organizers

Leonardo Guidoni (Università degli Studi dell'Aquila, Italy)
Carla Molteni (King’s College London, United Kingdom)
Daniele Varsano (Centro S3, CNR Istituto di Nanoscienze, Modena, Italy)


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