Mark E. CASIDA
Les pages www de Mark E. Casida
https://sites.google.com/site/markcasida
Dernière mise à jour : 7 juin 2021 Cet page a grandement besoin d'une mise à jour. J'en fait lentement.
Département de Chimie Moléculaire (DCM)
Horaire des réunions du groupe de Spectrométrie de masse, Interactions et Chimie Théorique (SITh) du DCM
Bienvenu à mes pages web. Vous trouverez ici des parties specifiques à la France (ou la francophonie) et des parties plutot orientées vers la comunauté scièntifique internationale. Ces dernières parties sont en anglais.
Welcome to my web pages. You will find parts which are oriented towards a French (or French speaking audience) and other parts oriented towards the international scientific community. These latter are in English.
TABLE DE MATIÈRES / TABLE OF CONTENTS
Some groups with which I am associated:
Moi assis dans la sculpture par ma mère, Kati Casida, à Skjolden, Norvège.
Me seated in the sculpture by my mother, Kati Casida, in Skjolden, Norway.
Mark E. Casida
Professeur, chimie théorique
Laboratoire de Spectrometrie, Interactions et Chimie Théorique (SITh)
Département de Chimie Molécularie (DCM, UMR CNRS/UJF 5250)
Institut de Chimie Moléculaire de Grenoble (ICMG, FR2607)
Université Grenoble-Alpes
F-38041 Grenoble
FRANCE
https://sites.google.com/site/markcasida/home
Tel: 04.76.63.56.28 (from/de France)
011.33.4.76.63.56.28 (from/de Canada or/ou USA)
e-mail : mark.casida@univ-grenoble-alpes.fr
Secretaire/Secretary
Caroline BLUTEAU
e-mail: Caroline.Bluteau@univ-grenoble-alpes.fr
Tel: 04.76.51.46.76
MY SCIENTIFIC RESEARCH
Invited and contributed talks.
Academic Family Tree (more for fun than for anything else)
MON ENSEIGNEMENT
License 1 en chimie
CHI 110 : Structure de la Matière
2003-2004 : 2 CTD
2004-2005 : 2 CTD
2005-2006 : 3 CTD, 1 TP
2006-2007 : 3 CTD
2007-2008 : 1 CTD, 1 TP
2008-2009 : 1 C
2009-2010 : 1C
2010-2011 : 1 C, 1 CTD, 1 TP
2011-2012 : 1 TP
2013-2014 : 1 CTD
2014-2015 : 1 CTD
2015-2016 : 1 CTDTP
CHEM 110 Int : General Chemistry (Structure of Matter)
2011-2012 : 1 C, 1 CTD
2012-2013 : 1 C, 1 CTD, 2 TP
2013-2014 : 1 C, 1 CTD, 1 CTDTP
2014-2015 : 1C, 1 CTDTP
2015-2016 : 1C, 1 CTD
CHI 131 : General Chemistry (Structure of Matter)
2016-2017 : 1 C, 1 CTD
2017-2018 : 1C, 1 CTD, 1 CTDTP
CHI 120 : Module Chimie Inorganique
2004-2005 : C, 2 TD, 2 TP
2005-2006 : C, 1 TD
2006-2007 : C, 1 TD, 1 TP
2007-2008 : C, 2 TD, 1 TP
2008-2009 : C, 1 TD
2009-2010 : C, 1 TD, 1 TP
2010-2011 : C, 1 TD, 1 TP
2011-2012 : C
2012-2013 : C
2013-2014 : C, 1 TD
2014-2015 : C, 3 TD, 1 TP
2015-2016 : C, 1 TP
CHI 120 : Module chimie organique
2011-2012 : 1 TD, 1 TP
2012-2013 : 1 TD
2013-2014 : 1 TD, 3 TP
2014-2015 : 2 CTD, 1 TP
2015-2016 : 1 CTD, 1 TP
2016-2027 : 1 TD
2017-2018 : 1 TD
2016-2017 : 1 TD, 1 TP
2017-2018 : 1 TD, 1 TP
License 2 en chimie
CHI 231
2014-2015 : 1 TP
2015-2016 : 1 TD, 1 TP
2016-2017 : 2 TD, 2 TP
2017-2018 : 2 TD
CHI 335
2016-2017 : 1 TP
2017-2018 : 1 TP
License 3 en chimie
2001-2002 : C, 1/2
2002-2003 : C, 1/2 TD
2003-2004 : C, 1/2 TD
2008-2009 : 2/5 C, 2/5 TD
2009-2010 : 2/5 C, 2/5 TD
2010-2011 : 2/5 C, 2/5 TD
2011-2012 : 2/5 C, 2/5 TD
2012-2013 : 2/5 C, 2/5 TD
2013-2014 : 2/5 C, 2/5 TD
License 3 Physique Chimie
2007-2008 : C, 3 TP
2008-2009 : C, 3 TP
2009-2010 : C, 3 TP
2010-2011 : C, 2 TP
Masters 1 (M1)
De la Molécule aux Hétérostructures
2011-2012 : 1/2 C
2012-2013 : 1/2 C
2013-2014 : 1/2 C
2014-2015 : 1/2 C
2015-2016 : 1/2 C
Masters 2 (M2) en chimie physique (anciennement DEA de chimie physique)
2001-2002 : 1/2 C
2002-2003 : 1/2 C
2003-2004 : 1/2 C
Cours enseigné dans le cadre du Label National Chimie Théorique
2007-2008 : 8h45 de cours
2008-2009 : 10h00 de cours
2010-2011 : 8h00 de cours
2011-2012 : 8h00 de cours enseigné dans le cadre d'une école de nanotechnology à Rio de Janeiro (BRASSON)
2012-2013 : 4h00 de cours enseigné dans le cadreu du Label à l'ENS de Lyon
Cours enseigné dans le cadre du Label National Chimie Théorique
2009-2010 : 9h00 de cours
LIENS ET D'AUTRES INFORMATIONS UTILES / LINKS AND OTHER USEFUL INFORMATION
Liens universitaires et Grenoblois
Site officiel de la ville de Grenoble
Articles dans La Liberation.
Présentation du Laboratoire d'Etudes Dynamiques et Structurales de la Sélectivité LEDSS
CIMENT: Calcul Intensif, Modélisation, Expérimentation Numérique et Technologique.
Le 38 de Biologie et de Chimie (liste des seminaires)
Assistance Informatique Étudiant Grenoble Universités
Academic and civic links
Links and other information of interest to theoretical chemists
Sites for Some Quantum Chemistry Programs
NWChem. A program aimed at a variety of calculations on massively parallel computers
MolCas. A very good program for CASSCF and CASPT2 (as well as other types of) calculations.
ADF: The Amsterdam Density Functional Theory program
AbInit: Formerly CORNING, a plane-wave DFT code, now open-source.
Linux4Chemistry: Nikodem Kuznik's very nice tabulation of chemistry software that runs under Linux. Some for free, some not for free.
General Theoretical Chemistry
Links and other information of interest to theoretical chemists
Sites for Some Quantum Chemistry Programs
NWChem. A program aimed at a variety of calculations on massively parallel computers
MolCas. A very good program for CASSCF and CASPT2 (as well as other types of) calculations.
ADF: The Amsterdam Density Functional Theory program
AbInit: Formerly CORNING, a plane-wave DFT code, now open-source.
Linux4Chemistry: Nikodem Kuznik's very nice tabulation of chemistry software that runs under Linux. Some for free, some not for free.
General Theoretical Chemistry
"Free" Software
GNU software's copy left principle
Redhat Linux
Linux4Chemistry: Nikodem Kuznik's very nice tabulation of chemistry software that runs under Linux. Some for free, some not for free.
Chemspider: The free chemical data base of the Royal Society of Chemistry (RSC). I like that you can search for a molecule just be uploading an image file in, for example, JPG format. Amazing!
Examples of Chemistry Java Applets
Arvi Rauk and Rich Cannings's Simple Huckel Molecular Orbital Calculator
Stéphane Humbel's (HuLiS) Lewis embedded in the Hückel method
Some Nobel Prizes Given to Theoretical Chemists
2013 Nobel Prize in Chemistry awarded "Martin Karplus, Michael Levitt and Arieh Warshel for the development of multiscale models for complex chemical systems".
1998 Nobel Prize in Chemistry awarded "to Walter Kohn for his development of the density-functional theory and to John Pople for his development of computational methods in quantum chemistry."
1992 Nobel Prize in Chemistry awarded to Rudolph A. Marcus "for his contributions to the theory of electron transfer reactions in chemical systems ."
1981 Nobel Prize in Chemistry awarded to Kenichi Fukui and Roald Hoffmann "for their theories, developed independently, concerning the course of chemical reactions."
1977 Nobel Prize in Chemistry awarded to Ilya Prigogine "for his contributions to non-equilibrium thermodynamics, particularly the theory of dissipative structures."
1966 Nobel Prize in Chemistry awarded to Robert S. Mulliken "for his fundamental work concerning chemical bonds and the electronic structure of molecules by the molecular orbital method."
1954 Nobel Prize in Chemistry awarded to Linus Pauling " "for his research into the nature of the chemical bond and its application to the elucidation of the structure of complex substances".
Links to a Few Interesting Journals and Related Pages
Les collection numériques des Bibliothèques universitaires Grenoble Alpes
Web of Knowledge A great search engine for the literature.
Physical Chemistry Chemical Physics - A Journal of European Chemical Societies
International Journal of Quantum Chemistry
Women in theoretical/computational chemistry, material science, and biochemistry
Si vous avez rencontré des difficultés avec mes pages www, veuillez me contacter à Mark.Casida@univ-grenoble-alpes.fr.
Should you encounter difficulties with my web pages, please contact me at: Mark.Casida@univ-grenoble-alpes.fr.