Feb 232021
 
Dopo le vacanze di Pasqua, con un calendario ancora da definire inizieranno i due mini corsi da 3 CFU tenuti dal Prof. Drew Parsons e di seguito illustrati. Gli studenti interessati a seguire il corso devono inviare un email al prof. Parsons all’indirizzo drew.parsons@unica.it
A) CICLO LEZIONI STUDENTI LAUREA MAGISTRALE: THEORY AND COMPUTATION IN PHYSICAL CHEMISTRY (3 CFU)
This course introduces basic computer programming with an emphasis on
the skills used by chemists to prepare lab calculations and analyze
data, together with the skills required to work with theoretical
models in physical and computational chemistry. The Python
programming language is used.
This is a short course (3 CFU, 24 hours) run over six weeks with
two 2 hour workshop sessions each week. Sessions include:
– setting up a working programming environment (Anaconda)
– structuring a computer program
– working with data files
– using scientific library modules
Sample applications include
– calculating buffer solutions
– analyzing reaction kinetics from measured data
– analyzing titration data
– estimating the size of protein molecules
– calculating Debye lengths
– methods used to evaluate ion adsorption layers
  (Poisson-Boltzmann model, electrical double layers)
The course is hands-on, students will learn to build programs on their
own computers.
The course will run in English under the tutelage of Australian
Professor Drew Parsons.
B) CICLO LEZIONI STUDENTI LAUREA TRIENNALE E MAGISTRALE: PROGRAMMING AND COMPUTATIONAL METHODS FOR CHEMISTS
This course introduces basic computer programming with an emphasis on
the skills used by chemists to prepare lab calculations and analyze
data. The Python programming language is used. The course is intended
to be useful for lab-based chemists, but also introduces skills
required to work with theoretical models in physical and computational
chemistry.
This is a short course (3 CFU, 24 hours) run over six weeks with
two 2 hour workshop sessions each week. Sessions include:
– setting up a working programming environment (Anaconda)
– structuring a computer program
– working with data files
– using scientific library modules
Sample applications include
– calculating buffer solutions
– analyzing reaction kinetics from measured data
– analysing titration data
– estimating the size of protein molecules
The course is hands-on, students will learn to build programs on their
own computers.
The course will run in English under the tutelage of Australian
Professor Drew Parsons.
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