IDENTIFYING DATA 2013_14
Subject (*) INTRODUCTION TO COMPUTATIONAL CHEMISTRY Code 20705204
Study programme
Nanoscience, Materials and Processes: Chemical Technology at the Frontier
 Cycle 2nd
Descriptors Credits Type Year Period
6 Optional Only annual
Language
Anglès
Department Physical and Inorganic Chemistry
Coordinator
BO JANÉ, CARLES
 E-mail antonio.rodriguezf@urv.cat
carles.bo@urv.cat
josepmaria.poblet@urv.cat
Lecturers
RODRÍGUEZ FORTEA, ANTONIO
BO JANÉ, CARLES
POBLET RIUS, JOSEP MARIA
Web http://moodle.urv.cat/docnet/guia_docent/index.php?centre=13&ensenyament=1368&assignatura=13685101&any_academic=2013_14&idioma_assig=eng
General description and relevant information

Competences
Type A Code Competences Specific
 A1 A1.1. Successfully studying and learning about the chosen research ambit: evaluating the technical and scientific importance, the technological potential and the viability of the nanoscience, design, preparation, properties, processes, developments, techniques and applications of materials.
 A3 A1.3 Planning and executing R+D+I projects related to the field of nanoscience, materials and chemical technologies, drawing conclusions and preparing reports.
 A4 A1.4. Conceiving, designing, constructing, reformulating and maintaining equipment, applications and efficient designs for experimental and numerical simulation studies in chemical technology.
 A6 A1.6. Analyse, identify and evaluate the data obtained from experiments and databases in the field of nanoscience, materials and chemical technology.
 A8 A2.2. Critically evaluating the results of research in the field of nanotechnology, materials and products and process design.
Type B Code Competences Transversal
 B15 B4.1. Continuously learning.
 B19 B5.3. Applying critical, logical and creative thought in a research and innovative context.
Type C Code Competences Nuclear
 C1 Have an intermediate mastery of a foreign language, preferably English

Learning outcomes
Type A Code Learning outcomes
 A1 A1.1 Are familiar with the theories, models and software specific to computational chemistry.
 A3 A1.3 Are capable of using computational chemistry techniques in chemical research.
 A4 A1.4 Can critically assess information and incorporate it into their own knowledge.
 A6 A1.6 Can interpret the results obtained from the application of computational chemistry software to specific applications.
 A8 A2.2 Are open to the new technologies and multidisciplinary work.
A2.2 Can interpret the basic literature and applications in computational chemistry.
Type B Code Learning outcomes
 B15 B4.1 Autonomously adopt the appropriate learning strategies in every situation.
B4.1 Set their own learning objectives.
 B19 B5.3 Follow a logical method for identifying the causes of a problem.
Type C Code Learning outcomes
 C1 Express opinions on abstract or cultural topics in a limited fashion.
Explain and justify briefly their opinions and projects.
Understand instructions about classes or tasks assigned by the teaching staff.
Understand routine information and articles.
Understand the general meaning of texts that have non-routine information in a familiar subject area.
Write letters or take notes about foreseeable, familiar matters.

Contents
Topic Sub-topic

Planning
Methodologies  ::  Tests
  Competences (*) Class hours
 Hours outside the classroom
 (**) Total hours
Introductory activities
1 0 1
Lecture
A1
A3
A4
A6
A8
B15
B19
 25 45 70
Practicals using information and communication technologies (ICTs) in computer rooms
35 0 35
Assignments
A3
B15
B19
C1
 0 15 15
Problem solving, exercises
B15
B19
 0 25 25
Personal tuition
2 0 2
 
Objective short-answer tests
A1
A3
A4
A6
A8
C1
 2 0 2
 
(*) On e-learning, hours of virtual attendance of the teacher.
(**) The information in the planning table is for guidance only and does not take into account the heterogeneity of the students.

Methodologies
Methodologies
  Description
Introductory activities
Lecture
Practicals using information and communication technologies (ICTs) in computer rooms
Assignments
Problem solving, exercises
Personal tuition

Personalized attention
Description

Assessment
Methodologies Competences Description Weight        
Assignments
A3
B15
B19
C1
Problem solving, exercises
B15
B19
Objective short-answer tests
A1
A3
A4
A6
A8
C1
Others  
 
Other comments and second exam session

Sources of information

Basic

Complementary

Recommendations
(*)The teaching guide is the document in which the URV publishes the information about all its courses. It is a public document and cannot be modified. Only in exceptional cases can it be revised by the competent agent or duly revised so that it is in line with current legislation.