History of winterschool


2020- Dr. ir. Ivo Filot (TU/e)
2010-2019 Dr. ir. Bernd Ensing (UvA)
2000-2009 Dr. ir. Gerrit C. Groenenboom (RU Nijmegen)
1988-1999 Prof. Wim J. Briels (UT)

Topics and lecture notes of previous years

2019 (November 25-29)

Prof. Dr. Ellen Backus (U-Vienna)
Static, 2D-, and time-resolved vibrational spectroscopy in bulk and at interfaces (5 hours) [lectures|notes]
Dr. Klaas Giesbertz (VU)
Density [matrix] functional theory (5 hours) [lecture 1|lecture 2|lecture 3]
Prof. Dr. Herma Cuppen (RUN)
Introduction in Astrochemistry (5 hours) []
Prof. Dr. Jean-Sébastien Caux (UvA)
From Path Integrals to Field Theory (5 hours) [lectures]
Prof. Dr. Titus van Erp (NTNU Trondheim/Norway)
Transition Path Sampling methods (2 hours) [lectures]
Dr. Bernd Ensing (UvA)
Path collective variables to find reaction mechanisms (2 hours) [lecture]
23 participants
Full program 2019
Group picture 2019

2018 (December 10-14)

Dr. Shirin Faraji (RUG)
Excited-state non-adiabatic dynamics (5 hours) [lectures]
Dr. Jörg Meyer (UL)
Machine learning in computational chemistry: foundations and applications (5 hours + hands-on computer practicum) [lecture 1|lecture 2|lecture 3|practicum]
Dr. Elizabeth von Hauff (VU)
Hybrid solar energy conversion (5 hours) [lecture 1| lecture 2| lecture 3]
Dr. Tijs Karman (Harvard-U)
Molecular quantum scattering (5 hours) [lecture]
Dr. Bernd Ensing (UvA)
Introduction to correlation, Kirkwood-Buff theory, Green's functions, and Onsager's regression theory (4 hours) [lecture 1|lecture 2|lecture 3|lecture 4]
33 participants
Full program 2018
Group picture 2018

2017 (December 11-15)

Dr. Gilles de Wijs (RUN)
Electronic structure calculations for solids with application to NMR spectroscopy (5 hours) [lectures]
Dr. Ludo Juurlink (UL)
Application of spectroscopic and related techniques in surface science for unravelling heterogeneously catalyzed reaction mechanisms - background and recent examples (5 hours) [lecture 1|lecture 2|lecture 3|lecture 4]
Dr. Ivo Filot (TU/e)
How to write your own ab initio electronic structure program (5 hours + hands-on computer practicum) [lectures|exercises|HF_code]
Dr. Annemieke Petrignani(UvA and RU)
--- canceled --- (4 hours)
Dr. Bernd Ensing (UvA)
Nuclear quantum dynamics simulation (4 hours) [lectures]
25 participants
Full program 2017
Group picture 2017

2016 (December 12-16)

Dr. Gert van der Zwan (VU)
Irreversibility (5 hours) [lecture 1|lecture 2|lecture 3|lecture 4]
Prof. dr. Jos Oomens (RUN)
Laser spectroscopy combined with mass spectrometry (5 hours) [lecture 1| lecture 2]
Dr. Ivo Filot (TU/e)
Microkinetics (5 hours) [tba]
Prof. Dr. Luuk Visscher(VU)
Post Hartree Fock correlation methods (5 hours) [lecture 1|notes 2|notes 3|exercises 1|solution 1|solution 2|]
Dr. Bernd Ensing (UvA)
Theory of solvent effects (4 hours) [lectures]
26 participants
Full program 2016
Group picture 2016

2015 (December 7-11)

Prof. An Ghysels (U-Gent)
On Normal Modes, Diffusion, and liquid structure (5 hours) [lecture 1|lecture 2|lecture 3]
Dr. Geert Brocks (TU-Twente)
Graphene and other 2D materials (5 hours) [notes|lecture 1|lecture 2|lecture 3|lecture 4|lecture 5]
Prof. Moniek Tromp (UvA)
--- canceled --- (5 hours)
Dr. Rosa Bulo (UU)
Mixed quantum mechanical and classical modeling of complex atomic systems (5 hours) [tba]
Dr. Bernd Ensing (UvA)
Kramers theory of reaction kinetics (4 hours) [lecture 1]
Integrators and Rare Events (3 hours) [lecture 2]
25 participants
Full program 2015
Group picture 2015

2014 (December 8-12)

Prof. Wim Briels (TU-Twente)
Statistical physics and linear response theory (5 hours) [lecture 1|lecture 2|lecture 3]
Prof. Gerrit C. Groenenboom (RUN)
Diatomic molecules (5 hours) [lecture 1]
Prof. Evert Jan Baerends (VU)
Density functional theory and its time-dependent extension (5 hours) [lectures]
Prof. Wybren Jan Buma (UvA)
"Light on electronically excited states: riding the roller coaster" (5 hours) [lectures]
Dr. Bernd Ensing (UvA)
Ab Initio Molecular Dynamics (4 hours) [lectures]
30 participants
Full program 2014
Group picture 2014

2013 (December 9-13)

Prof. Michel Orrit (UL)
Single-molecule and single-nanoparticle optical spectroscopy (5 hours) [lecture 1|lecture 2|lecture 3]
Dr. Paola Gori-Giorgi (VU)
Density Functional Theory of strongly correlated systems (5 hours) [lecture 1]
Prof. Marc Koper (UL)
Electron transfer and electrocatalysis (5 hours) [lecture 1| lecture 2]
Dr. Yves Rezus (AMOLF)
Nonlinear infrared spectroscopy (5 hours) [lecture 1| lecture 2| lecture 3| lecture 4]
Dr. Bernd Ensing (UvA)
Transition path theory (4 hours) [lecture 1| lecture 2]
23 participants
Full program 2013
Group picture 2013

2012 (December 10-14)

Prof. Ad van der Avoird (RUN)
Noncovalent interactions between molecules and the spectra of weakly bound molecular clusters (5 hours) [lectures]
Prof. Benoît Champagne (FUNDP, Namur)
Quantum Chemistry Methods for Predicting and Interpreting Non-Linear Optical Properties (5 hours) [lecture 1] [lecture 2] [lecture 3]
Dr. Anouk Rijs (RUN)
Gas-Phase IR Spectroscopy: towards large (bio)molecules and far-IR wavelengths (5 hours) [lecture 1|lecture 2|lecture 3]
Dr Gerrit Groenhof (U Jyväskylä, Finland)
Excited state dynamics (5 hours) [lectures]
Dr. Bernd Ensing (UvA)
QM/MM and other multiscale modeling methods (4 hours) [lecture 1|lecture 2]
24 participants
Full program 2012
Group picture 2012

2011 (December 12-16)

Prof. Wim Briels (TU-Twente)
Relativity and gravitation (5 hours) [lectures]
Prof. Luuk Visscher (VU)
Diracs equation and other prerequisites for achieving high accuracy in quantum chemistry (5 hours) [lectures]
Prof. Claudia Filippi (TU-Twente)
Solving the Schrödinger equation with random walks: Introduction to quantum Monte Carlo methods (5 hours) [lectures]
Prof. Marloes Groot (VU)
Spectroscopy on photoactive proteins (5 hours) [lectures 1| lectures 2]
Dr. Bernd Ensing (UvA)
Electrochemistry and simulation of charge transfer reactions (4 hours) [lecture 1|lecture 2]
25 participants
Full program 2011
Group picture 2011

2010 (December 6-10)

Prof. Dr. Ria Broer (RUG)
Electronic structure methods for solids (6 hours)
Prof. Dr. Frank de Groot (UU)
Theoretical and experimental aspects of X-ray spectroscopy (6 hours) [lecture 1|lecture 2|lecture 3]
Dr. Francesco Buda (UL)
Ab initio molecular dynamics: ground and excited states (4 hours) [lectures]
Dr. Johan Padding (IMCN)
Statistical mechanics of liquids (6 hours) [slides|handouts]
Dr. Bernd Ensing (UvA)
Free energy methods (4 hours) [lecture 1|lecture 2]
20 participants
Full program 2010
Group picture 2010

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) [lecture-notes]
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) or updated version]
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) [lecture notes]
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)

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 in 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 in 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)

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