Educational offer - University of Padova

First cycle degree courses	Second cycle degree courses	Single cycle degree courses
School of Science
CHEMISTRY

Course unit
COMPUTATIONAL CHEMISTRY
SC02120583, A.A. 2018/19

Information concerning the students who enrolled in A.Y. 2018/19

Information on the course unit

Degree course	First cycle degree in CHEMISTRY SC1156, Degree course structure A.Y. 2014/15, A.Y. 2018/19	bring this page with you
Number of ECTS credits allocated	6.0
Type of assessment	Mark
Course unit English denomination	COMPUTATIONAL CHEMISTRY
Website of the academic structure	http://www.chimica.unipd.it/corsi/laurea-chimica
Department of reference	Department of Chemical Sciences
Mandatory attendance	No
Language of instruction	Italian
Branch	PADOVA
Single Course unit	The Course unit can be attended under the option Single Course unit attendance
Optional Course unit	The Course unit can be chosen as Optional Course unit

Lecturers

Teacher in charge	LAURA ORIAN		CHIM/02
Other lecturers	DANIEL FORRER		000000000000
Other lecturers	ANTONINO POLIMENO		CHIM/02

ECTS: details

Type	Scientific-Disciplinary Sector		Credits allocated
Core courses	CHIM/02	Physical Chemistry	2.0
Core courses	CHIM/03	General and Inorganic Chemistry	2.0
Core courses	CHIM/06	Organic Chemistry	2.0

Course unit organization

Period	Second semester
Year	1st Year
Teaching method	frontal

Type of hours	Credits	Teaching hours	Hours of Individual study	Shifts
Lecture	6.0	48	102.0	No turn

Calendar

Start of activities	25/02/2019
End of activities	14/06/2019
Show course schedule	2019/20 Reg.2014 course timetable

Examination board

Board	From	To	Members of the board
5 a.a. 2018/19	28/04/2015	30/11/2019	ORIAN LAURA (Presidente) FORRER DANIEL (Membro Effettivo) POLIMENO ANTONINO (Membro Effettivo)

Syllabus

Prerequisites:	Basic knowledge of mathematics, physics and chemistry (as provided by previous courses)
Target skills and knowledge:	The main goal of the course is to illustrate the fundamentals and applications of computational chemistry to predict and interpret structural and dynamic properties of molecules.
Examination methods:	Oral exam; the student will also have the opportunity of preparing and presenting a specific topic of interest.
Assessment criteria:	The evaluation is based on the level of comprehension of the computational methodologies and of their application to current physico-chemical problems.
Course unit contents:	The course offers an overview of the computational tools available to the modern chemist. Minimal theoretical aspects will be presented, but the student will learn how different methodologies are suitable to solve different problems, such as: - electronic structure calculations - molecular geometry optimization - computation of thermochemical, spectroscopic, structural and dynamic properties - description of the properties of materials through integrated techniques. Fundamentals of quantum chemistry will be revisited, although this will be limited to the comprehension of the main aspects of the different methods. During the course, application of computational chemistry in physical, organic and inorganic chemistry problems will be discussed. To this purpose, some practical examples will be presented to the students in the computing room of the Department of Chemical Sciences. In addition, seminars upon invitation of Italian and foreing Professors, working in the field of computational chemistry, might be included.
Planned learning activities and teaching methods:	Lectures and short practical sessions.
Additional notes about suggested reading:	Lecture notes and slides.
Textbooks (and optional supplementary readings)	C. J. Cramer, Essentials of Computational Chemistry. UK: John Wiley & Sons, 2004. F. Jensen, Introduction to Computational Chemistry. UK: John Wiley & Sons, 1999.