1. Knowledge and understanding: at the end of the course the student will get the knowledge and understanding about the most important numerical and computational methods in chemistry. More specifically, the student will be able to set up simple calculations with quantum and classical methods.
2. Applying knowledge and understanding: at the end of the course the student will be able to apply the knowledges acquired in point 1 to suggest and design proper calculation schemes, in order to solve specific chemical problems.
3. making judgements: at the end of the course the student will acquire a critical ability, mastering the strengths and weakness of the most important theoretical and computational models for chemistry. The student will be autonomous, by employing all the quantum chemistry formalisms described during the course to solve quantum chemical or spectroscopic problems using logical procedures.
4. Communication skills: at the end of the course the student will be able to expose clearly all the concepts acquire in point 1.
5. Learning skills. at the end of the course the student will be able to learn more details about the treated arguments autonomously, by using books, specific bibliography and standard computational software.

This course can be taken EXCLUSIVELY by students who are following the
TCCM Euromaster. The students attending to this course are expected to be familiar with basics of mathematical analysis (derivatives and integrals) and linear algebra. Furthermore they are expected to know the fundamentals of quantum mechanics and the basics of molecular quantum mechanics.

Exercises assigned during the International
School on classical, quantum and statistical mechanics.

Fundamental books:
1) A. Szabo and N. Ostlund, "Modern Quantum
Chemistry", Macmillan Publishing No., Inc. 1982, New
York
2) R. G. Parr and W. Yang, "Density-Functional Theory of
Atoms and Molecules", Oxford University Press, 1989,
New York.
3) Additional books and articles on specific arguments will be given during
the Summer school

Exercises which are assigned during the International
School and are worked out by the student under the
supervision of the professor.
The exercises will be about classical dynamics (molecular dynamics) as well as quantum mechanical (ab-initio and density functional methods).

The course consists of exercises relative to the main arguments treated during the international TCCM school. Practical computer exercises will be also performed.

The course will be given in presence, the lectures will be recorded, in case the University will decide accordingly.

To verify the acquirement of the concepts written exercises, solved in autonomy by student under the supervision of the supervisor, will be organized, whose goal is to verify the acquisition of the most important computational methods treated in the course. The assessment, expressed in thirties, will take into account the knowledge level, the depth level as well as the quality of the written report.The evaluation grid adopted is as follows:
- Excellent (30 - 30 cum laude): excellent knowledge of the topics, excellent command of language,
excellent analytical ability.
- Very good (27 - 29): good knowledge of the topics, notable fluency in language,
good analytical ability.
- Good (24-26): good knowledge of the main topics, fair command of language; he/she
student shows adequate analytical ability.
- Satisfactory (21-23): the student does not show full mastery of the topics
principals of teaching, despite possessing the fundamental knowledge; show anyway
satisfactory language skills and sufficient analytical ability.
- Sufficient (18-20): minimal knowledge of the main topics of teaching and
technical language, limited analytical ability.
- Insufficient: the student does not have acceptable knowledge of the contents of the
different topics of the program.