Applied Statistical Thermodynamics 2015: from theory to molecular dynamics simulation

International Spring School for Graduate Students

Course Dates: November 16, 2015 – November 27, 2015
Enrollment Dates: July 21, 2015 – September 9, 2015
Class Size:
30 (22 places left)
Who can Enroll:
Students are added by instructors.
Course Language:
English
Price: FREE

Instructors

1) Prof. Dr. Willem F van Gunsteren
1) Prof. Dr. Willem F van Gunsteren
Wilfred F. van Gunsteren has held the Chair of Computer Aided Chemistry as full Professor at the ETH Zurich since September 1st, 1990.Wilfred F. van Gunsteren was born in 1947 in Wassenaar, Netherlands. He studied physics and law at the Free University in Amsterdam, earning his doctorate in 1976 with Read more about Applied Statistical Thermodynamics 2015: from theory to molecular dynamics simulation[…]

2) Univ. Prof. Dr. Chris Oostenbrink
2) Univ. Prof. Dr. Chris Oostenbrink
Chris Oostenbrink is professor at the University of Natural Resources and Life Sciences in Vienna and heads the Institute of Molecular Modeling and Simulation. He has published more than 100 peer-reviewed papers involving computational approaches to describe complex biomolecular systems. His main research interests are the structure and function of Read more about Applied Statistical Thermodynamics 2015: from theory to molecular dynamics simulation[…]

3) Dr. Maria Reif
3) Dr. Maria Reif
Maria Reif studied Molecular Biotechnology and Molecular Modeling at the Technische Universität München, Germany, and at Cardiff University, UK. In 2010, she obtained her PhD at the Swiss Federal Institute of Technology (ETH) in Zurich, Switzerland, in the group of Prof. Philippe Hünenberger on the topic of investigating single ion Read more about Applied Statistical Thermodynamics 2015: from theory to molecular dynamics simulation[…]

4) Dr. José Antonio Gárate
4) Dr. José Antonio Gárate
José Antonio Gárate studied Molecular Biotechnology Engineering at the Universidad de Chile. He obtained his PhD at the University College Dublin at the Molecular Modelling and Simulation Group, where he studied the effects of electromagnetic fields on nano and bio systems via molecular dynamics simulations. From 2011 to 2013 he Read more about Applied Statistical Thermodynamics 2015: from theory to molecular dynamics simulation[…]

Course Structure

Introduction

This International Spring School uses a BootCamp format to expose the students to intensive two weeks all-day of theoretical and practical knowledge acquisition. It is especially intended for PhD students, as well as for young Researchers or Professionals in the field, who wish to acquire state-of-the-art knowledge about the Statistical Thermodynamics foundations of Molecular Dynamic Simulations, including advanced techniques and protocols. General topics covered include classical mechanics, thermodynamics and statistical mechanics, as well as advanced simulation techniques.

General and Specific Goals

General Goal

Assistants to this course will receive an introduction to the theoretical foundations behind Molecular Dynamics, encompassing topics like thermodynamics, classic mechanics and statistical mechanics, including practical sessions where the students will apply the acquired knowledge.

Specific Goals

Provide to the students with:

  • Introduction to thermodynamics, classical mechanics and statistical mechanics
  • Familiarization with advanced techniques in molecular dynamics simulations
  • Emphasis on biomolecular simulation
  • Free energy calculations
  • Enhanced sampling

Prerequisites:

  • University degree in Chemistry, Physics, Biology or related areas

  • Basic statistics 

  • Basic calculus

Syllabus and schedule:

schedule

 *Click to enlarge

Course Material:

Organizing Committee:

  • Dr. Jose Antonio Garate. Computational Biology Lab, Fundación Ciencia y Vida, Santiago, Chile.
  • Dr. Tomas Perez-Acle. Computational Biology Lab, Fundación Ciencia y Vida, Santiago, Chile.

Workshop at CINV: Past and future of bio-molecular simulations and how to model ions dynamics in MD simulations

This one-day workshop will be held during Monday 16 at the Faculty of Sciences, Universidad de Valparaíso, and is intended to give the audience a critic revision of bio-molecular simulations and  how ions  are be modeled in MD simulations.

Outreach

General Public Lectures will be given at both the Fundacion Ciencia & Vida and at the Centro Interdisciplinario de Neurociencia de Valparaiso (CINV). 

Registration Ended

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Partial economic support is kindly acknowledge to:
FONDECYT 1130652, FONDECYT 3130547, ACT 1107, PFB16 Fundación Ciencia para la Vida, Instituto Milenio Centro Intredisciplinario de Neurociencias de Valparaíso. ICM – Economía  P09-022-F, ECM-02 Powered@NLHPC.

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