Introduction to scientific software [SCHIB206]

Learning outcomes

Students are familiarised, through theoretical and practical training, with the use of various software for the presentation of scientific data, bibliographic research, analysis and visualisation of data in chemistry. This training is designed to be of direct assistance in data processing, writing laboratory reports, making posters and visual aids for oral presentations, and this as early as the Block 2 year.

By the end of this Teaching Unit, the students will be able to :

1- Promptly answer a scientific question, similar to the examples provided during the computer labs and courses, using a software practiced during the labs, addressing the criteria listed during the courses and labs;

2- Analyse 1D data (statistics, rejection tests, uncertainty calculations and combination) and 2D data (identification/interptretation of a straight line equation, linear and non linear regressions, outliers);

3- Cite criteria related to (i) plagiarism detection, (ii) on-line bibliography search tool selection, (iii) graphs, tables, posters, slides, equations construction (iv) citation validation;

4- Rigourously present a scientific document showing good text, tables, figures, equations, bibliography layout, using softwares seen during the labs;

5- Carry out, right to the point, a bibliographic search on a given subject following criteria explained during the courses/formations and constraints (keyword selection, search tool, logical query, source validation, citations);

6- Cite, following the criteria taught during the courses/formations, a list of references (journal articles, books, webpage, etc.), and correct uncomplete or erroneous citations.

Objectives

Students are familiarised, through theoretical and practical training, with the use of various software for the presentation of scientific data, bibliographic research, analysis and visualisation of data in chemistry. This training is designed to be of direct assistance in data processing, writing laboratory reports, making posters and visual aids for oral presentations, and this as early as the Block 2 year.

By the end of this Teaching Unit, the students will be able to :

1- Answer a scientific question, similar to the examples provided during the computer labs and courses, using a software practiced during the labs, addressing the criteria listed during the courses and labs;

2- Analyse 1D data (statistics, rejection tests, uncertainty calculations and combination) and 2D data (identification of a straight line equation, linear and non linear regressions, outliers);

3- Cite criteria related to (i) plagiarism detection, (ii) on-line bibliography search tool selection, (iii) graphs, tables, posters, slides, equations construction (iv) citation validation;

4- Rigourously present a scientific document showing good text, tables, figures, equations, bibliography layout, using softwares seen during the labs;

5- Carry out a bibliographic search on a given subject following criteria explained during the courses/formations and constraints (keyword selection, search tool, logical query, source validation, citations);

6- Cite, following the criteria taught during the courses/formations, a list of references (journal articles, books, webpage, etc.), and correct uncomplete or erroneous citations.

Content

I) Presentation of data: tables, graphs, etc. Introduction to one or more document editing programs

II) Bibliographic research: a) information sources, bibliographic databases, library catalogues, use of search engines, ... b) elaboration of search requests, c) evaluation of information, d) citation of sources, etc.

III) Introduction to one or more data processing/analysis programs

IV) Introduction to one or more molecular representation programs

V) Introduction to a symbolic calculation program

VI) Introduction to LateX

VII) Statistical concepts and applications

Table of contents

I) Presentation of data: tables, graphs, etc. Introduction to one or more document editing programs

II) Bibliographic research: a) information sources, bibliographic databases, library catalogues, use of search engines, ... b) elaboration of search requests, c) evaluation of information, d) citation of sources, etc.

III) Introduction to one or more data processing/analysis programs

IV) Introduction to one or more molecular representation programs

V) Introduction to a symbolic calculation program

VI) Introduction to LateX

VII) Statistical concepts and applications