History of the Graduate Course on Theoretical Chemistry and Spectroscopy

Organizers

1988-1999 Prof. Wim J. Briels (UT)
2000-2009 Dr. ir. Gerrit C. Groenenboom (RU Nijmegen)
2010- Dr. ir. Bernd Ensing (UVA)

Topics and lecture notes of previous years

2009 (December 7-11)
Dr. Meta van Faassen (VU) Electron-molecule scattering (6 hours) [lecture I| lecture II]
Dr. Johannes Neugebauer (UL)Subsystem quantum chemistry (6 hours) [ Lecture notes]
Dr. ir. Gerrit C. Groenenboom (RU)Excitation energy transfer (4 hours) [presentation | Excitation energy transfer website with references]
Dr. Huib Bakker (AMOLF) Nonlinear infrared spectroscopy (4 hours) [Lecture notes]
Dr. Thomas la Cour Jansen (RUG)Two-dimensional spectroscopy (6 hours) [lecture notes | presentation]
18 participants
 
2008 (December 15-19)
Prof. dr. Evert Jan Baerends (VU) Density functional theory (6 hours, lecture1.pdf, lecture2.pdf)
Prof. dr. Michel Orrit (UL)Single molecule optics (4 hours, lecture1.ppt, lecture2.ppt)
Dr. ir. Gerrit C. Groenenboom (RU)Ultracold chemistry (4 hours, lecture.pdf)
Prof. dr. Peter G. Bolhuis (UvA) Molecular rare event simulations (6 hours, lecture1.pdf, lecture2.pdf, lecture3.pdf)
Dr. Herma M. Cuppen (UL) Kinetic modeling of interstellar chemistry (6 hours, lecture.pdf)
28 participants
 
2007 (December 10-14)
Prof. Dr. ir. Ad van der Avoird (RU) Ab initio force fields for non-covalent interactions (4 hours)
(Lecture notes: part1.pdf, part2.pdf, part3.pdf, part4.pdf)
Dr. Joop H. van Lenthe (UU)The valence bond method (6 hours) (Lecture notes)
Prof. Dr. Laurens D. A. Siebbeles (TUD) Charge mobility on polymers (4 hours)
(Lecture notes, Figures, Polymers, DNA)
Prof. Dr. Michael Filatov (RUG)Post-SCF electron correlation methods (6 hours)
Prof. Dr. Wim J. Briels (UT)Statistical physics, coarse graining and stochastic simulations (6 hours)
15 participants
 
2006 (December 4-8)
Dr. Roar Olsen (RUL) Classical and quantum transition state theory (6 hours) [TSTAndQTSTAndTSLectures.pdf]
Prof. Wim Ubachs (VU)Phenomena in diatomic molecules (4 hours)
Drs. Adrian Stan (RUG) Mathematical foundations of quantum physics (3 hours) [Adrian-Stan-16apr08.pdf]
Drs. Daniel R. Rohr (VU) Introductory course on quantum mechanics and electronic structure methods (3 hours) [Rohr-Han-2006.pdf, Rohr-oep-2006.pdf]
Prof. Ria Broer (RUG) Electronic structure methods for solids (6 hours)
Dr. ir. Gerrit C. Groenenboom (RU) Angular momentum theory (4 hours) [gcg1999.pdf]
22 participants
 
2005 (December 12-16)
Dr. Geert Brocks (UT) Molecular electronics: electron transport at the nanoscale (6 hours) (Lecture notes.pdf)
Dr. Francesco Buda (RUL) Car-Parrinello method for ab-initio Molecular Dynamics (6 hours) (Lecture notes.pdf))
Prof. Dr. Marc van Hemert (RUL) Theoretical Interstellar Chemistry (5 hours)
Prof. Dr. Marc Vrakking (AMOLF) Development of attosecond lasers and their application to molecular dynamics (4 hours)
Dr. ir. Gerrit C. Groenenboom (RU)Quantum electrodynamics: one- and two-photon processes (5 hours) (Lecture notes.pdf)
19 participants
 
2004 (December 6-10)
Dr. F. Matthias Bickelhaupt (VU) Understanding Chemistry with Kohn-Sham Molecular Orbital Theory (4 hours)
Dr. Robert van Leeuwen (RUG) Nonequilibrium Green functions (6 hours) [Lecture (pdf)]
Dr. habil. Harold Linnartz (VU) From experimental spectrum to molecular geometry and vv. (6 hours)
Dr. ir. Gerrit C. Groenenboom (RU) Time independent scattering theory (4 hours) [Lecture (pdf), Lecture (PostScript)]
Dr. Benoît Champagne (Namur) Quantum chemical contributions to the design of nonlinear optical materials (6 hours)
31 participants
 
2003 (December 8-12)
Dr. Paul J. A. Ruttink (UU) A survey of electronic correlation methods (6 hours) (Lecture notes in MSword: 1SCCI.doc, 2CCl.doc, 3CEPA.doc, 4MRCEPA.doc, and in pdf: 1SCCI.pdf, 2CCl.pdf, 3CEPA.pdf, 4MRCEPA.pdf)
Dr. ir. Paul L. de Boeij (RUG) Time-dependent (current-) density-functional theory for linear response and excitation properties of extended systems (6 hours)
Dr. Jennifer L. Herek (AMOLF) Coherent control of chemical reactions (4 hours) (Lecture 1 (pdf), Lecture 2 (pdf))
Prof. Dr. Wim J. van der Zande (KUN/AMOLF) When are electrons fast and are Born and Oppenheimer correct? (4 hours), [Lecture notes (pdf)]
Prof. Dr. ir. Ad van der Avoird (KUN) Intermolecular force fields and how they can be determined (5 hours) (Lecture notes: avoird1.pdf, 2003/avoird2.pdf)
27 participants
 
2002 (December 9-13)
Dr. Ria Broer (RUG) Analysis and prediction of magnetic properties of molecules and solids (6 hours)
Prof. Dr. Wybren Jan Buma (UVA) High-resolution experimental ab initio spectroscopy: vivisection on molecular excited states (5 hours)
Dr. ir. Gerrit C. Groenenboom (KUN) Quantum dynamics of large amplitude motion and Jacobi coordinates (3 hours)
Dr. Tonek Jansen (TUE) Monte Carlo simulations of kinetics (6 hours)
Dr. Geert-Jan Kroes (RUL) Wave packet dynamics of molecule-surface reactions (6 hours)
23 participants
 
2001 (December 10-14)
Dr. Joop H. van Lenthe (UU) Valence bond theory (6 hours)
Dr. Chris Meier (Toulouse) Wave packet dynamics and simulation of pump-probe spectra (6 hours) [cmeier2001.pdf (new version on Januari 7, 2002) ]
Dr. Evert Jan Meijer (UVA) Car-Parrinello Molecular Dynamics (4 hours)
Prof. Dr. Dave H. Parker (KUN) Ion imaging (4 hours)
Dr. ir. Gerrit C. Groenenboom (KUN) Discrete variable representations (4 hours) [gcg2001.pdf]
20 participants
 
2000 (27/11-1/12)
Dr. Stan J. A. van Gisbergen (VU) Molecular response properties and time-dependent density functional theory (6 hours) [svg2000.pdf]
Dr. Wim M. Klopper (UU) Accurate ab initio computations of electron correlation effects (4 uren)
Dr. Marc Koper (TUE) Theory of electron-transfer reactions in liquids and at metal-liquid interfaces (6 hours)
Dr. Gert von Helden (FOM) Multiphoton excitation of gas phase molecules (4 hours)
Dr. ir. Gerrit C. Groenenboom (KUN) Photodissociation (6 hours)
27 participants
 
1999 (29/11-3/12)
Prof. Dr. W. J. Briels (UT) Inleiding in de relativiteitstheorie (4 uren)
Dr. ir. G. C. Groenenboom (KUN) Angular momentum theory and applications (6 hours) [gcg1999.pdf]
Dr. M. H. M. Janssen (VU) Vector correlations in chemical reaction dynamics (4 hours)
Dr. L. Visscher (VU) Relativistische quantumchemie (6 uren)
Dr. ir. P. E. S. Wormer (KUN) Introduction to the electronic correlation problem (6 hours) [correlation.pdf, correlation.ps.gz]
 
1998 (30/11-4/12)
Prof. Dr. W. J. Briels (UT) Statistische mechanica en tijdcorrelatie functies (4 uren)
Dr. K. Duppen (RUG) Niet-lineare optische spectroscopie (4 uren)
Prof. Dr. F. B. van Duijneveldt (RUU) Symmetrie-breking (4 uren)
Dr. M. A. van der Hoef (UT) Klassieke en ab-initio moleculaire dynamica (6 uren)
Prof. Dr. J. G. Snijders (RUG) Optische responsfuncties (6 uren) [lecture notes]
 
1997 (December 15-19)
Prof. Dr. E. J. Baerends (VU) Dichtheidsfunctionaaltheorie (6 uren)
Dr. W. J. Briels (UT) Lineaire response theorie en Onsagers regressie hypothese (6 uren)
Prof. Dr. A. W. Kleyn (AMOLF) Het sonderen van de interactiedynamica aan oppervlakten met moleculaire bundels (4 uren)
Dr. G. J. Kroes (RUL) Golfpakketmethoden voor molecuul oppervlakteverstrooiing (6 uren)
Dr. E. J. Meijer (VU) Principes van Car & Parrinello moleculaire dynamica (4 uren)
 
1996 (December 9-13)
Dr. C. van Alsenoy (UIA) Moleculen in kristallen (4 uren)
Dr. R. Broer (RUG) Kwantum chemische cluster aanpakken voor het bestuderen van vaste stoffen (6 uren)
Dr. M. C. van Hemert (RUL) en Dr. W. J. Buma (UvA) Intramoleculaire dynamica; (enige) theorie en (enige) spectroscopie (4+4 uren)
Prof. Dr. D. Feil (UT) Licht en materie (6 uren)
 
1995 (December 11-15)
Dr. W. J. Briels (UT) Reacties in vloeistoffen (6 uren)
Dr. P. Th. van Duijnen (RUG) Solvatatie in de quantumchemie (6 uren)
Prof. Dr. J. G. Snijders (VU) Inleiding verstrooiingstheorie (6 uren)
Dr. ir. P. E. S. Wormer (KUN) Impulsmomenttheorie (6 uren)
 
1994 (December 12-16)
Dr. P. J. A. Ruttink (RUU) Unimolekulaire reakties (6 uren)
Dr. W. J. Briels Inleiding functionalen in de chemie (2 uren)
Prof. Dr. E. J. Baerends (VU) Dichtheidsfunktionaal-theorie in de quantumchemie (6 uren)
Prof. Dr. ir. A. van der Avoird Symmetrie van slappe molekulen (6 uren)
Prof. Dr. H. Berendsen (RUG) Quantumdynamische simulaties (6 uren)
 
1993 (June 14-18)
Prof. dr. W. C. Nieuwpoort (RUG) Electronenstructuur berekeningen van vaste stof clusters op basis van de Dirac vergelijking (6 uren)
Dr. J. H. van Lenthe (RUU) Propere dissociatie (4 uren)
Dr. ir. G. C. Groenenboom (KUN) IJle matrixmethoden in de quantumchemie (4 uren)
Dr. W. J. Briels (UT) Statistische fysica (2 uren)
Dr. A. P. J. Jansen (TUE) Moleculaire dynamica met toepassingen op de berekening van reactiesnelheden (4 uren)
Prof. Dr. W. J. Briels (UT) De methode van Car & Parrinello (4 uren)
 
1992 (June 1-5)
Dr. J. G. Snijders (VU) Inleiding verstrooiingstheorie
Prof. Dr. D. Feil (UT) Licht en materie
Prof. Dr. J. J. C. Mulder (RUL) Valence bond theorie
Prof. Dr. F. B. van Duijneveldt (RUU) Symmetrie breking
Dr. ir. P. E. S. Wormer (KUN) De permutatiegroep en haar toepassingen
Dr. W. J. Briels (UT) Quantum Monte Carlo
 
1991 (March 11-15) (Han-sur-Lesse)
Dr. M. van Hemert Spectra van diatomaire moleculen
Prof. Dr. R. A. van Santen Quantum chemistry of surface chemical reactivity
Dr. W. Ravenek Green functies en chemisorptie
Prof. Dr. Ir. A. van der Avoird Molekulaire vibraties en rotaties
Prof. Dr. E. J. Baerends Quantum chemistry in momentum space
 
1989 (November 13-17)(Twente)
Dr. P. J. A. Aerts (RUG) Relativistische quantumchemie (9 uren)
Dr. P.J.A. Ruttink (RUU) Electronencorrelatie (9 uren)
Dr. J. H. van Lenthe (RUU) Computers/praktische quantumchemie (9 uren)
ir. G. C. Groenenboom (TUE) Born-Oppenheimer benadering (2 uren)
 
1988 (November 14-18) (Twente)
Dr. J. G. Snijders (VU) Green's functies (8 uren)
Dr. H. B. Broer (RUG) Effectieve core potentialen (8 uren)
Dr. ir. P. E. S. Wormer (KUN) Groepentheorie (8 uren)
Dr. W. J. Briels (UT) Green functies (6 uren)
 
Dr. ir. Gerrit C. Groenenboom
Institute of Theoretical Chemistry
University of Nijmegen
Toernooiveld 1
6525 ED Nijmegen
Tel.: 024-3653034 or 024-3653036
Fax.: 024-3653041
e-mail: gerritg at theochem.ru.nl

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