Introduction to algorithms with a special focus on chemistry:Design of algorithms, data structures and modern C++, search and sort algorithms, graph algorithms, numerical algorithms, algorithms in cheminformatics and bioinformaticsProgramming language: C++

In the CSE Case Studies Seminar invited speakers from ETH, from other universities as well as from industry give a talk on an applied topic. Beside of attending the scientific talks students are asked to give short presentations (10 minutes) on a published paper out of a list.

In the CSE Case Studies Seminar invited speakers from ETH, from other universities as well as from industry give a talk on an applied topic. Beside of attending the scientific talks students are asked to give short presentations (10 minutes) on a published paper out of a list.

Students are able to understand some basic economic problems related to their core studies, like investment problems, monopoly and patents, environmental issues.

No description available.

Molecular models, Force fields, Spatial boundary conditions, Calculation of Coulomb forces, Molecular dynamics, Analysis of trajectories, Quantum-mechanical simulation, Structure refinement, Application to real systems. Exercises: Analysis of papers on computer simulation, Molecular simulation in practice, Validation of molecular dynamics simulation

Minimal introduction to UNIX, Data representation and processing, algorithms and programming in C++, Errors, programming guidelines, efficiency, computer architecture, algorithms for sorting and searching, databases, numerical algorithms, types of algorithms, simulation, data communication & networks, chemical structures, operating systems, programming languages, style, software engineering,

Introduction to UNIX, introduction to Python programming, data representation and processing, computational errors, algorithms and scaling, sorting and searching, numerical algorithms, algorithmic strategies, computer simulation, computer architecture, operating systems, programming languages, computer networks, databases, representation of chemical structures, molecular simulation.

Seminar series covering current developments in Physical Chemistry

Principles and applications of statistical mechanics and equilibrium molecular dynamics, Monte Carlo simulation, stochastic dynamics and free energy calculation.Exercises using a MD simulation program to generate ensembles and subsequently calculate ensemble averages.