Applied Statistical Thermodynamics 2017: from theory to molecular dynamics simulations

International Spring School for Graduate…

Course Dates: November 20, 2017 – December 1, 2017
Enrollment Dates: October 16, 2017 – November 15, 2017
Class Size:
20 (4 places left)
Who can Enroll:
Students are added by instructors.
Course Language:
Price: FREE


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 2017: from theory to molecular dynamics simulations[…]

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 2017: from theory to molecular dynamics simulations[…]

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 2017: from theory to molecular dynamics simulations[…]

MSc. Yerko Ignacio Escalona Balboa
MSc. Yerko Ignacio Escalona Balboa

Course Structure





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. Students are encouraged to bring their own projects in which the acquired knowledge will be applied. 

General and Specific Goals

General Goal

Assistants to this course will receive an advanced 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 on their own projects.

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
  • Simulation of students projects


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

  • Basic statistics 

  • Basic calculus

  • Students must bring their own laptops

Registration Closed!!!

Syllabus and schedule:







*Click to enlarge

Course Material:

For those students who need to be evaluated, please inform us with time. Students should provide before December 31st a report which must include either the results of the GROMOS tutorial or their advances on their own projects. Additionally the report must include the solutions of the theoretical and numerical exercises of Tutorial 6 (see students schedule). The final presentations of Day 10 (students plans)  will also be considered in the final score.

The evaluations percentages are as follows:

Students informs: 70%

Final presentations 30%



Organizing Committee:

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

Partial economic support is kindly acknowledge to:
FONDECYT 1160574, PFB16 Fundación Ciencia para la Vida, Instituto Milenio Centro Interdisciplinario de Neurociencias de Valparaíso. ICM – Economía  P09-022-F, ECM-02 Powered@NLHPC


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