Summer School 2017 Program

12th Annual European Molecular Computational Summer School

for Life Science Students

13 May- 1 July 2017

 

Each topic represents a lecture that varies between 2 and 4 hours and starts at 10 o’clock. 

 

 

Day

Date

Lecturer

Lecture

Practice

Sat.

May 13

Arrival

Sun.

May 14

Mon.

May 15

Béla Viskolcz

Introduction to the SummerSchool Projects

Setup of the students’ PC 
Literature Search in Online Library

Tue.

May 16

John Justine Villar

Basics of Computation & Informatics

Practical introduction to Mendeley,
Introduction to report writing
Andrea Guljas

Wed.

May 17

John Justine Villar

Basic Calculus

Practical introduction to ChemOffice software
Milán Szőri

Thu.

May 18

Milán Szőri

Chemistry as an Excursion on Potential Energy Surfaces (PES)

Practical introduction to Origin software
Milán Szőri

Fri.

May 19

Imre G. Csizmadia,
Anita Rágyanszki,
Béla Fiser

Introduction to First Principles Calculations I. Hartree-Fock Methods and Basis sets

My first Gaussian input 

Sat.

May 20

Weekend

Sun.

May 21

Mon.

May 22

Imre G. Csizmadia,
Anita Rágyanszki,
Béla Fiser

Introduction to First Principles Calculations II. Hartree-Fock Methods and Basis sets

Study of the Basis set effect

Tue.

May 23

Imre G. Csizmadia,
Anita Rágyanszki,
Béla Fiser

Introduction to First Principles Calculations III. Electron Correlation Methods

Method dependence of the PES

Wed.

May 24

Imre G. Csizmadia,
Béla Fiser,
Anita Rágyanszki

Density Functional Theory

Project work

Thu.

May 25

Ödön Farkas

Ab initio calculations in practice I.: Optimizations

Project work

Fri.

May 26

Ödön Farkas

Ab initio calculations in practice II.: PES Scans

Project work

Sat.

May 27

Weekend

Sun.

May 28

Mon.

May 29

Béla Viskolcz,
Gábor Muránszky

Ab initio calculations in practice III.: Normal mode analysis

Project work

Tue.

May 30

Svend K. Jensen

Determination of transition states and activation energies

Project work

Wed.

May 31

Zoltán Mucsi

Reaction mechanism studies

Project work

Thu.

June 1

Milán Szőri

Statistical Thermodynamics: from Molecule to Ensemble/ Model Chemistries

Project work

Fri.

June 2

Milán Szőri

Application of Hess’s law to calculation of the heat of formation

Project work

Sat.

June 3

Weekend

Sun.

June 4

Mon.

June 5

Pentecost

Tue.

June 6

 

Workflow

Project work

Wed.

June 7

 

Project work

Project work

Thu.

June 8

 

Project work

Project work

Fri.

June 9

 

Project work

Project work

Sat.

June 10

Weekend

Sun.

June 11

Mon.

June 12

 

Project work

Project work

Tue.

June 13

 

Project work

Project work

Wed.

June 14

 

Project work

Project work

Thu.

June 15

Preparing Poster Presentation

Fri.

June 16

Sat.

June 17

Weekend, Deadline to finish Posters

Sun.

June 18

Mon.

June 19

Michelle A. Sahai

Computational Toxicology

 

Tue.

June 20

Travel to Nove Hrady (CZ)

Wed.

June 21

7th Visegrad Symposium on Structural Systems Biology (Novi Hrady, CZ)

Thu.

June 22

Fri.

June 23

Sat.

June 24

Get back to Miskolc (HU)

Sun.

June 25

Weekend

Mon.

June 26

Imre Jákli

Toroidal representation of conformational PES

Project work

Tue.

June 27

Preparing the Final Report

Wed.

June 28

Thu.

June 29

Fri.

June 30

Deadline of the Final Report

Sat.

July 1

Departure

             

 

Participating Lecturers and Assistances Listed

 



 

Lecturers

University

 

Béla Viskolcz

University of Miskolc (Hungary)

 

Imre G. Csizmadia

University of Miskolc (Hungary)
University of Toronto (Canada)

 

Anita Rágyanszki

University of Miskolc (Hungary)
University of Toronto (Canada)

 

Milán Szőri

University of Miskolc (Hungary)

 

Béla Fiser

University of Miskolc (Hungary)

 

John Justine Villar

University of Miskolc (Hungary)
University of the Philippines Diliman (Philippines)

 

Gábor Muránszky

University of Miskolc (Hungary)

 

Andrea Guljas

University of Miskolc (Hungary)
University of Toronto (Canada)

 

Ödön Farkas

Eötvös Loránd University (Hungary)

 

Imre Jákli

Eötvös Loránd University (Hungary)

 

László Müller

University of Miskolc (Hungary)

 

Michael C. Owen

Forschungszentrum Jülich (Germany)

 

Svend Jensen

Aarhus University (Denmark)

 

Szilárd Fejér

University of Miskolc (Hungary)

 

Zoltán Mucsi

Budapest University of Technology and Economics (Hungary)

 

Michelle A. Sahai

University of Roehampton (UK)

 

Franco Andreas Cimino Prado

 

 

Emily Lu

University of Miskolc (Hungary)

 

Rachid Hadjadj

University of Miskolc (Hungary)

 

Wafaa Cheikh

University of Miskolc (Hungary)