News

17 January 2020
Seminar by Prof. Nicola Marzari
Prof. Nicola Marzari from EPFL (Lausanne, Switzerland) will give an ACMM/John van Geuns seminar on Friday January 17 (2020) at 11.00 in room SP C0.110.
The title of the seminar is: The great acceleration in materials discovery
Click here for the abstract.
3 December 2019
Seminar by Prof. Michele Ceriotti
Prof. Michele Ceriotti from EPFL (Lausanne, Switzerland) will give an ACMM/John van Geuns seminar on Friday January 17 (2020) at 09.30 in the event-building of "The Polder" at the UvA Science Park.
The title of the seminar is: Physics-inspired machine learning for materials and molecules
3 December 2019
Seminar by Apl. Prof. Marialore Sulpizi
Prof. Marialore Sulpizi from Johannes Gutenberg University (Mainz, Germany) will give an ACMM/John van Geuns seminar on Friday January 17 (2020) at 10.15 in the event-building of "The Polder" at the UvA Science Park.
The title of the seminar is: Ionic liquids confined between metallic interfaces: What is the role of image charges?
3 December 2019
Seminar by Prof. Herma Cuppen
Prof. Herma Cuppen from Radboud University (Nijmegen, The Netherlands) will give an ACMM seminar on Friday January 17 (2020) at 11.15 in the event-building of "The Polder" at the U vA Science Park.
The title of the seminar is: TBA
3 December 2019
Seminar by Assoc. Prof. Francesco Buda
Prof. Francesco Buda from Leiden University (Leiden, The Netherlands) will give an ACMM seminar on Friday January 17 (2020) at 12.00 in the event-building of "The Polder" at the U vA Science Park.
The title of the seminar is: Vibronic coupling in photoinduced electron transfer
20 September 2019
Seminar by Prof. Rong-Zhen Liao
Prof. Rong-Zhen Liao from Huazhong University of Science and Technology (Wuhan, China) will give an ACMM seminar on Friday September 20, 2019 at 11.00 in room SP D1.112.
The title of the seminar is: Challenges and Progress in Modeling Water Oxidation Reactions
Click here for the abstract.
28 June 2019
Seminar by Dr. Roberto Covino
Dr. Roberto Covino from the Max Planck Institute for Biophysics (Frankfurt, Germany) will give an ACMM seminar on Friday June 28, 2019 at 11.00 in room SP D1.115.
The title of the seminar is: Artificial Intelligence-Assisted Discovery of Molecular Mechanisms from Computer Simulations
Click here for the abstract.
23 February 2018
Seminar by Dr. Martin Engler
Dr. Engler from the University of Dusseldorf (Germany), will give a ACMM seminar on Friday 23 February at 11.00 in room SP C1.112.
The title of the seminar is: Graph-theoretical approaches to molecular parameterization for MD simulations.
Click here for the abstract.
February 2018
Energy propagation in nanoparticles
Dapeng Sun and Evert Jan Meijer, together with Hong Zhang and Xianggui Kong and co-workers, present their recent work on energy migration in core–shell nanostructures in Angew. Chem. Intl. Ed entitled Precisely tailoring upconversion dynamics via energy migration in core-shell nanostructures .
The work is highlighted on the cover of the journal.
17 January 2018
Seminar by Prof. Gregory Voth
Prof. Gregory Voth will give a ACMM/John van Geuns seminar on Wednesday 17 January at 09.00 in room SP C0.110.
Prof. Voth is Haig P. Papazian Distinguished Service Professor at the University of Chicago.
The title of the seminar is: Systematic Coarse-graining: Fundamentals and Applications.
Click here for the abstract.
8-19 January 2018
Molsim-2018
It is again time for the annual MolSim tutorial. From 8 until 19 January, students come from all over the world to the Computation Chemistry group at the UvA for MolSim-2018.
15 January 2016
Seminar by Prof. Ali Alavi
Prof. Ali Alavi will give a ACMM seminar on Friday January at 11.00 in room SP C0.110. Prof. Alavi is director at the Max Planck Institute for Solid State Research (Stuttgart, Germany). He is also affiliated (as Professor) with Cambridge University (UK).
The title of the seminar is: Solving Quantum Chemical probleems using Quantum Monte Carlo algorithms.
4-15 January 2016
Molsim-2016
It is again time for the annual MolSim tutorial. From 4 until 15 January, students come from all over the world to the Computation Chemistry group at the UvA for MolSim-2016.
11 March 2016
Molecular Dynamics Day
The 6th Dutch Molecular Dynamics Day will take place on the 11th of March 2016 in Groningen. Registration is possible until February 29, using this form. The organisers are: Riccardo Alessandri (RUG), Adrien Fredon (RUN), Phaedon Brotzakis (UvA), and Sudeshna Roy (U-Twente). Email to dutchmdday@gmail.com for further information.
24 March 2015
Nazila's PhD defense
Nazila's PhD defense will take place in Agnieten Chapel, University of Amsterdam on Tuesday, March 24, 2015 at 14:00 hrs. The title of her thesis is "Towards the architectures of macromolecules".
13 March 2015
John van Geuns/ACMM lecture - Prof. dr. Philippe Sautet
Prof. dr. Philippe Sautet from the Ecole Normale Supérieure de Lyon and the Université de Lyon, Lyon, France will give a John van Geuns/ACMM lecture titled "Modelling materials and reactions for energy conversion and storage" on Friday March 13, 2015 at 11.00 hrs in G3.02. Click here for the abstract.
27 February 2015
Dutch MD day
The fifth Dutch Molecular Dynamics Day will take place on the 27th of February in Amsterdam. This meeting aims at bringing together researchers working on Molecular Simulations in the Netherlands, following the Dutch saying: "Beter een goede buur dan een verre vriend". See here for more details.
5-16 January 2015
Molsim2015
It is again time for the annual MolSim tutorial. From 5 until 16 January, students come from all over the world to the Computation Chemistry group at the UvA for MolSim2015.
12 December 2014
Ivan's PhD defense
Ivan's PhD defense will take place in Agnieten Chapel, University of Amsterdam on Friday, December 12, 2014 at 14:00 hrs. The title of his thesis is "Topology Evolution in Macromolecular Networks".
3 December 2014
Research seminar - Dr. Ilja Voets
Dr. Ilja Voets, assistant professor in Physical Organic Chemistry in the Department of Chemical Engineering and Chemistry and the Institute for Complex Molecular Systems at the Eindhoven University of Technology (TU/e) will give a seminar titled "Freeze-resistant soft materials: from hot proteins to cool colloids" on Wednesday December 3, 2014 at 15.00 hrs in SP D1.110.
7 november 2014
John van Geuns/ACMM lecture - Prof. dr. Frank Noe
Prof. dr. Frank Noe, head of the Computational Molecular Biology group in the Freie Universität Berlin, Germany will give a John van Geuns/ACMM lecture titled "Efficiently extracting thermodynamics and kinetics from molecular simulation data at multiple thermodynamic states" on Friday Novemeber 7, 2014 at 11.00 hrs in B0.207. Click here for the abstract.
17 October 2014
Lecture - Prof. Matteo Dal Peraro
Prof. Matteo Dal Peraro from Biomolecular Modeling group at EPFL in Lausanne, Switzerland will give a lecture titled "Unveiling the structure of macromolecular assemblies using integrative dynamic modeling" on Friday October 17, 2014 at 11.00 hrs in room A1.04. Click here for the abstract.
1 October 2014
Mini Symposium
Prof. M. Sprik (University of Cambridge), Dr. M. Sulpizi (University of Mainz) and Dr. F. Buda (University of Leiden) would give a mini-symposium titled "Advanced simulations of charge transfer reactions" on Wednesday October 1, 2014 from 9.15-12.30 hrs at Seminar room in restaurant "De Polder", Science Park, Amsterdam.
1 October 2014
Murat's PhD defense
Murat's PhD defense will take place in Aula - Oude Lutherse kerk at Spui 411, Amsterdam on Wednesday, October 1, 2014 at 15:00 hrs. The title of his thesis is "Molecular Simulations in Electrochemistry : Electron and proton transfer reactions mediated by flavins in different molecular environments".
26 September 2014
John van Geuns/ACMM lecture - Prof. dr. Gerhard Hummer
Prof. dr. Gerhard Hummer, director of the Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Frankfurt, Germany will give a John van Geuns/ACMM lecture titled "Molecular simulation of protein dynamics and function" on Friday September 26, 2014 at 11.00 hrs in C4-174. Click here for the abstract.
19 September 2014
Research seminar - Dr. Jaap Kaandorp
Dr. Jaap Kaandorp, Associate Professor, Computational Biology, UvA will give a seminar titled "Modelling gene regulation of morphogenesis in the sea anemone Nematostella vectensis" on Friday September 19, 2014 at 11.00 hrs in B0.201. Click here for the abstract.
12 September 2014
Research seminar - Prof. J. Ilja Siepmann
Prof. J. Ilja Siepmann, Distinguished McKnight University Professor and Distinguished Teaching Professor from Department of Chemistry, University of Minnesota, USA will give a seminar titled "Predictive Modeling of Separation Processes: Solvent Extraction, Adsorption, and Chromatography" on Friday September 12, 2014 at 15.00 hrs in C4-174. Click here for the abstract.
5 September 2014
Lizhe's PhD defense
Lizhe's PhD defense will take place in Agnieten Chapel, University of Amsterdam on Friday, September 5, 2014 at 14:00 hrs. The title of his thesis is "Communicating Helices - Molecular Simulation of Allosteric Receptor Proteins".
29 August 2014
Research seminar - Dr. Enrico Riccardi
Dr. Enrico Riccardi from the Norwegian University of Science and Technology (NTNU) will give a seminar titled "The application of rare event methods to chemical engineering" on Friday August 29, 2014 at 11:00 hrs in room D1.110 at the Science Park.
16 June 2014
John van Geuns/ACMM seminar - Dr. John Chodera
Dr. John Chodera from the Memorial Sloan-Kettering Cancer Center in New York will give a John van Geuns/ACMM seminar titled "Redesigning Drug Design" on Monday June 16 2014 at 14:00 hrs in room D1.114 at the Science Park.
13 June 2014
Weina's PhD defense
Weina's PhD defense will take place in Agnieten Chapel, University of Amsterdam on Friday, June 13, 2014 at 12:00 hrs.
6 June 2014
ACMM Spring Symposium
The Amsterdam Center for Multiscale Modeling has organized its spring Symposium on Friday, 6 June 2014 at University of Amsterdam (Roeterseilandcomplex). We have put together a programme that highlights recent developments in all time and length scales covered by the ACMM. Click here for the program.
15 April 2014
ACMM Lecture - Dr. Davide Branduardi
Dr. David Branduardi currently with Crucell, Leiden, the Netherlands; previously within Theoretical Molecular Biophysics group, MPI Frankfurt, Germany will give a seminar titled "String method in Cartesian space for freely-tumbling systems: ATP-Mg2+ conformational transitions" on Tuesday April 15 2014 at 11:00 hrs in in S-607 (VU, W&N building). Click here for the abstract
9 April 2014
Seminar - Dr. Thomas Wuest
Dr. Thomas Wuest from the Swiss Federal Institute for Forest, Snow and Landscape Research will give a seminar titled "Why do polymers knot and proteins (k)not?" on Wednesday April 9 2014 at 15:00 hrs in room D1.113 at the Science Park.
7 February 2014
ACMM Winter Symposium
The Amsterdam Center for Multiscale Modeling has organized its Winter Symposium on Friday, 7 February 2014. We have put together a programme that highlights recent developments in all time and length scales covered by the ACMM. Click here for the program.
27 January 2014
ACMM Seminar - Dr. Anton Feenstra
Dr. Anton Feenstra from the IBIVU Bioinformatics, Vrije Universiteit, Amsterdam will give an ACMM lecture titled "Fast and accurate calculation of protein-protein interaction free energy" on Monday January 27 at 11:00 hrs in room D1.112 at the Science Park. Click here for the abstract and further details.
17 January 2014
ACMM Seminar - Prof. Ralf Everaers
Prof. Ralf Everaers from the Ecole Normale Supérieure de Lyon, France will give an ACMM lecture titled "Universal aspects of chromosome folding" on Friday January 17 at 11:00 hrs in room C0.05 at the Science Park. Click here for the abstract and further details.
10 January 2014
Seminar
Lei Lu from Jacobs University in Bremen, Germany will give a seminar on "Electronic structure, stability, and reactivity of boron cluster and frustrated Lewis pairs" at 11.00 hrs in room D1.112 on Friday, 10 January 2014.
6-17 January 2014
Molsim2014
It is again time for the annual MolSim tutorial. From 6 until 17 January, students come from all over the world to the Computation Chemistry group at the UvA for MolSim2014.
2 December 2013
John van Geuns lecture/ACMM Seminar - Prof. Dr. Eric Vanden-Eijnden
Prof. Dr. Eric Vanden-Eijnden from the Courant Institute at the New York University will give an John van Geuns lecture/ACMM lecture titled "Simple models for complex protein dynamics" on Monday December 2 at 15:00 hrs in room A1.04 at the Science Park. Click here for the abstract and further details.
15 November 2013
Grisell's PhD defense
Grisell's PhD defense will take place in Agnieten Chapel, University of Amsterdam on Friday, November 15, 2013 at 10:00 hrs.
14 November 2013
John van Geuns lecture - Dr. Titus van Erp
Dr. Titus van Erp from Norwegian University of Science and Technology, Trondheim, Norway will be giving a John van Geuns lecture titled "Can we use achiral zeolites for chiral separation?" on Thursday November 14 at 14:00 hrs in room A1.04 at the Science Park.
11 November 2013
ACMM Seminar - Prof. Dr. Ignacio Pagonabarraga
Prof. Dr. Ignacio Pagonabarraga from the University of Barcelona an ACMM lecture titled "Emergent structures in the collective motion of molecular motors" on Monday November 11 at 10:00 hrs in room C1.112 at the Science Park. Click here for the abstract and further details.
30 October 2013
ACMM Seminar and Anna's PhD defense
Prof. Dr. Fahmi Himo from the Arrhenius Laboratory of the Stockholm University (Sweden) will give a John van Geuns/ACMM lecture titled "Quantum Chemical Modeling of Asymmetric Biocatalysis and Homogeneous Catalysis" on Wednesday October 30, at 10:00 hrs in room D1.112 at the Science Park.

Anna's PhD defense will take place in Agnieten Chapel, University of Amsterdam on Wednesday October 30, at 14:00 hrs.
28 June 2013
ACMM Annual Symposium
The Amsterdam Center for Multiscale Modeling has organized its Annual Symposium on Friday, 28 June 2013. We have put together a programme that highlights recent developments in all time and length scales covered by the ACMM. Click here for the program.
20 March 2013
John van Geuns lecture - Dr. Marc Joyeux
It is a pleasure to invite you to a seminar on Wednesday 20 March 2013 at 14.00 by Dr. Marc Joyeux from Laboratoire Interdisciplinaire de Physique, Université Joseph Fourier, Grenoble, France. The location is D1.110 at Science Park 904. Click here for the abstract and further details.
27 February 2013
Seminar - Dr. Jacco van de Streek
It is a pleasure to invite you to a seminar on Wednesday 27 February 2013 at 11.00 by Dr. Jacco van de Streek from Department of Pharmacy, University of Copenhagen, Denmark. The location is D1.162 at Science Park 904. Click here for the abstract and further details.
18 January 2013
ACMM seminar - Prof. Dr. Paolo Carloni
It is a pleasure to invite you to a seminar on Friday 18 January 2013 at 11.00 by Prof. Dr. Paolo Carloni from German Research School for Simulation Sciences. The location is C0.110 at Science Park 904. Click here for the abstract and further details.
26 October 2012
Inaugral lecture Evert Jan
Evert Jan will give his inaugural lecture (oratie) on Friday, October 26 at 16 hours in the Aula of the University of Amsterdam.
25 October 2012
Dr. ViVo's seminar
It is a pleasure to invite you to a seminar on Thursday 25 October 2012 at 14.00 by Dr. Marco De Vivo from the Department of Drug Discovery and Development at the Italian Institute of Technology in Genoa, Italy. The location is D1.113 at Science Park 904. Click here for the abstract and further details.
8 March 2013
Dutch MD day
Friday 8th of March the third Dutch Molecular Dynamics day will take place in Eindhoven. This meeting aims at bringing together researchers working on (bio)Molecular Dynamics in the Netherlands, following the Dutch saying: "Beter een goede buur dan een verre vriend".
20 July 2012
NWO awards Athena grant to Jocelyne
Jocelyne received Athena grant worth 100 thousand euros from NWO.
28 June 2012
ACMM Spring Symposium
The Amsterdam Center for Multiscale Modeling has organized its Spring Symposium on Thursday, 28 June. In this free symposium, a number of internationally renowned speakers will give lectures on several aspects of Multiscale Modeling, ranging from physical chemistry to biology. Click here for the program.
7 May 2012
HPC course promotional movie
Jocelyne featured in the promotional movie for the course on High Performance Computing.
23 March 2012
Dutch MD day
Friday 23rd of March the second Dutch Molecular Dynamics day will take place in Groningen. This meeting aims at bringing together researchers working on (bio)Molecular Dynamics in the Netherlands, following the Dutch saying: "Beter een goede buur dan een verre vriend".
9-20 January 2012
Molsim2012
It is again time for the annual MolSim tutorial. From 9 until 20 January about 75 students come from all over the world to the Computation Chemistry group at the UvA for MolSim2012.
16 December 2011
Prof Evans lecture
It is a pleasure to invite you to a seminar on Friday 16 december 2011 at 14.00 by prof. dr. R. Evans from the Physics Department at the University of Bristol. The location is D1.113 at Science Park 904. Click here for the abstract and further details.
9 December 2011
ACMM Fall Symposium
The Amsterdam Center for Multiscale Modeling has organized its Fall Symposium on Friday, 9 December. In this free symposium, a number of internationally renowned speakers will give lectures on several aspects of Multiscale Modeling, ranging from physical chemistry to biology. Click here for the program.
7 December 2011
David Chandler lecture
David Chandler, distinguished professor in Physical Chemistry at the University of California, Berkeley will visit the group (1-8 December and give a lecture entitled Principles of self-assembly, where kinetics can trump thermodynamics on 7 December. Click here for the abstract and further details.
2 December 2011
Tom Woolf seminar (2 December)
It is a pleasure to invite you to a seminar on Friday 2 December 2011 at 14.00 by prof. dr. T. Woolf from the Johns Hopkins University, School of Medicine. The location is B1.25 (Beta Lounge) at Science Park 904. The title of the presentation is: Towards Determining Order Parameters for Protein Conformational Change.
20 September 2011
Marieke Schor thesis defense
Marieke Schor will defend her PhD thesis entitled From peptide chains to chains of peptides -- multiscale modelling of self-assembling polypeptides. This will take place at 14.00 in the Agnieten chapel. Click here for a summary of his reserach.
31 August 2011
Seminar Peter Wierenga
Peter Wierenga from the Laboratory of Food Chemistry, Wageningen University, will visit our group and give a presentation at 14.00 in room D1.110 entitled The reality of protein unfolding and refolding in food chemistry.
6 July 2011
Seminar Jed Pitera
Jed Pitera from the IBM Almaden Research Center in California, USA, will visit our group and give a presentation at 14.00 entitled Computational chemistry at IBM Almaden. Click here for details.
15 June 2011
Seminar Titus van Erp
Titus van Erp from the Centre for Surface Chemistry and Catalysis, Catholic University of Leuven will visit our group and give a presentation at 14.00 entitled Theoretical approaches for studying zeolite formation. Click here for details.
8 June 2011
Francesco Colonna thesis defence
Francesco Colonna will defend his research on carbon proporties in the Agnieten chapel. Click here for a summary of his reserach.
6 June 2011
Seminar Luca Ghiringhelli
Luca Ghiringhelli from the Fritz Haber Institute of the Max Planck Society in Berlin will visit our group and give a presentation at 14.00 entitled Free gold clusters: beyond the static, mono-structure description. Click here for details.
13 May 2011
Onderzoek uitgelicht: chemicus David Dubbeldam
David Dubbeldam gave an insightfull interview about his research on zeolites and metal-organic frameworks. Read the whole story here (in Dutch).
1 May 2011
Aurora Cruz-Cabeza
Dr Aurora Cruz-Cabeza has joined our group as a postdoctoral fellow. Her research focusses on crystal structure prediction. More information on her research will soon follow here.
1 May 2011
New group member
Marcin Nowosielski joins the group with a PhD research program supervised by Peter Bolhuis.
28 April 2011
ACMM Symposium
The next ACMM Spring Symposium is scheduled for April 28 from 10.00 until 17.30 at the VU Amsterdam. Have a look at the program, with exciting topics spanning the whole range of multiscale modeling, here.
14 April 2011
Erica Eiser seminar
Thursday, April 14, Erica Eiser from the Biological and Soft Systems group of Cambridge University (UK) will give a siminar. The title is Flying Carpets: Colloidal Membranes via DNA driven self-assembly and the location is room C0.110 at the Science Park.
17 March 2011
WiF seminar
Thursday (March 17) will be the Women in FNWI (WiF) annual meeting during which Jocelyne Vreede will give a lecture after the best WiF publication award ceremony, starting at 16.15 in room A1.10, which is followed by drinks.
14 March 2011
Jocelyne wins prize
Jocelyne Vreede has been awarded the Women in the FNWI prize for the best publication, with her paper Predicting reaction coordinates of millisecond light-induced conformational changes in Photoactive Yellow Protein with Jarek Juraszek and Peter G. Bolhuis in Proc Natl Acad Sci USA, 2010, vol 107, p 2397-2402.
9 March 2011
Aurora Cruz-Cabeza
It is a pleasure to invite you to a Computational Chemistry seminar on Wednesday 9 March 2011 at 14.00 by dr. Aurora Cruz-Cabeza, Pfizer Institute for Pharmaceutical Materials Science, and the Cambridge Crystallographic Data Centre, Cambridge, UK. The location is A1.04 and the title of her seminar is From Energy Landscapes and Structural Databases to Materials Design.
28 February 2011
Christian Jorgensen
On Monday 28 February at 14.00 Christian Jorgensen from the Department of Chemistry, University of Oxford, will give a presentation about his research. The title of his presentation is: "Free Energy Calculations in Biological Systems" The location will be announced shortly.
23 February 2011
Siri van Keulen
On Wednesday 23 February at 14.00 Siri van Keulen will give a presentation about her literature master project on the functioning of a chaperone protein called Trigger Factor. The title of this presentation is: "Triggered attraction" The colloquium will take place in A1.04
16 February 2011
Tom de Greef
It is a pleasure to invite you to a Computational Chemistry seminar on Wednesday 16 February 2011 at 14.00 by dr. Tom de Greef, Department of Biomedical Engineering, TU Eindhoven. The location is A1.04 and the title of his seminar is The Ins and Outs of Supramolecular Polymerization.
21 January 2011
Molsim dinner
The molsim New Year (or belayed Christmas) dinner is happening on Friday evening. Everybody in the group is preparing and bringing culinary specialties...
3-14 January 2011
Molsim2011
It is again time for the annual MolSim tutorial. From 3 until 14 January about 75 students come from all over the world to the Computation Chemistry group at the UvA for MolSim2011.
1 January 2011
New group member
Wagner Homsi Brandeburgo continues his Atosim Master research with a PhD project in de Computational Chemistry Group. He will study proton transfer with ab initio molecular dynamics simulations.
21 December 2010
Sean Sun seminar
It is a pleasure to invite you to a Computational Chemistry seminar on Tuesday 21 December 2010 at 14.00 by Dr. Sean Sun from the Johns Hopkins University, Baltimore, USA. The title is Mechanochemical Processes in Biology. Coordinates and an abstract are found here.
16 December 2010
Photoreceptor meeting
Experimental and computational scientists from Amsterdam and Utrecht are meeting at this mini-symposium at the University of Amsterdam to talk about photoactive proteins. Click here for the program
6-10 December 2010
Han-sur-Lesse
Registration is now open for the annual Winter School for Theoretical Chemistry and Spectroscopy. Read further here...
1 December 2010
New group member
We are welcoming Ana Vila Verde in de Computational Chemistry Group. She starts a postdoc project with Peter Bolhuis.
20 November 2010
Vidi award
David Dubbeldam has been award an NWO Vidi grant. This allows him to start a new research line with a focus on adsorption and diffusion in novel mesoporous materials.
18 November 2010
ACMM Symposium
The next ACMM Fall Symposium is scheduled for November 18. The program is now online here.
Unfortunately, the webserver hosting www.acmm.nl can currently not be reached, due to problems related to our move to the Science Park. The ACMM website is temporary found here.
10 November 2010
Steven Schwartz seminar
It is a pleasure to invite you to a Computational Chemistry seminar on Wednesday 10 november 2010 at 14.00 by Prof. Steven D. Schwartz. The title is Reaction coordinates for complex chemical transformations - how enzymes really work".
4 November 2010
Dutch Molecular Dynamics meeting
This meeting aims at bringing together researchers working on (bio) Molecular Dynamics in the Netherlands, following the Dutch saying: "Beter een goede buur dan een verre vriend". Click here for the program
1 October 2010
New group member
We are welcoming Jurriaan Luiken in de Computational Chemistry Group. He starts a PhD project under guidance of Peter Bolhuis.
1 September 2010
New group members
We are welcoming three new members in the computational chemistry group: Aatish Kumar, Ethayaraja (Raja) Mani, and Ivan Kryven.
26 August 2010
Move to Science Park
This Thursday the Computational Chemistry group is the last HIMS group to leave the Roeterseiland and move to the new building in the Science Park of Amsterdam.
7 July 2010
Seminar Simon Poblete
Simon Poblete from the Max Planck Institute for Polymer Science in Mainz will visit the group and give a seminar entitled Thermodynamic Forces in Adaptive Resolution Simulations on Wednesday, July 7, at 14.00 in room B4.32.
23 June 2010
Seminar Tatiana Domratcheva
Dr. Tatiana Domratcheva from the Max Planck Institute for Medical Research in Heidelberg will visit the group and give a seminar entitled Photoactivation of the novel biological blue-light receptor BLUF : a theoretical study on Wednesday, June 23, at 14.00 in room B4.32.
1 June 2010
New group members
We welcome two new members in our group. Kushagra Singhal has started a PhD project to study chaperone assisted folding of proteins and Nazila Yaghini will perform simulations of low-density polyethylene. Nazila is a PhD student of professor Idema and will be co-supervised by Peter Bolhuis in our group.
15 April 2010
Seminar Serena Donnini
Serena Donnini from the Max Planck Institute for Biophysical Chemistry in Göttingen will visit the group and give a seminar entitled In silico titration of biomolecules: molecular dynamics at constant pH on Thursday, April 15, at 11.00 in room B4.32.
24 March 2010
Seminar Nikos Doltsinis
Nikos Doltsinis from King's College London will give a seminar entitled Multiscale Modelling of Photoactive Materials on Wednesday, March 24, at 2 PM in room B4.32.
14-27 March 2010
Glasser visiting professor
Bernd Ensing accepted an invitation to be 2010 Glasser Visiting Professor at the University of the Sciences in Philadelphia (USP). From March 14 until 27, he will give a series of lectures and collaborate with computational scientists at the West Center for Computational Chemistry at USP. Read further here...
15 March 2010
Jocelyne onderzoek uitgelicht
Jocelyne Vreede talks about her research on proteins, such as the photoactive yellow protein, using computer simulations.
3 March 2010
Seminar Stuart Althorpe
Dr. Stuart C. Althorpe from Department of Chemistry, University of Cambrige will give a seminar entitled Path-integral rate-theory in the deep-tunnelling regime on Wednesday, March 3, at 2 PM in room B4.32.

10 February 2010
Seeing is believing
Jocelyne Vreede, Jarek Juraszek, and Peter Bolhuis present their latest computer simulations of the photoactive yellow protein with a paper in Proc. Natl. Acad. Sci. USA entitled Predicting the reaction coordinates of millisecond light-induced conformational changes in photoactive yellow protein
11 November 2009
Seminar Dr. Mani
Dr. Ethayaraja Mani from Utrecht University will give a seminar entitled Self-assembly of inorganic macromolecules. The seminar is on Wednesday, 11 November, at 14.00 in room B432.
21 October 2009
Richard Sear seminar
Prof. dr. Richard Sear from the University of Surrey, UK, will give a seminar on Wednesday 21 October 2009 at 14.00. The location will be: room B432. The title of the seminar is: Nucleation of crystals: Experimental studies of protein crystallisation and computer simulations of simple models.
7 October 2009
Pietro Vidossich seminar
Pietro Vidossich gives a seminar entitled Heme hydroperoxidase catalysis: the role of distal side residues on Wednesday October 7 at 14.00 hr in room B4.32. Click here to read the abstract.
5 October 2009
Pietro Vidossich visit
Pietro Vidossich will visit our group for the month October to explore the free energy landscape of an enzymatically catalysed reaction step of a bacterial perchlorate respiratory pathway using metadynamics simulation. Pietro is a postdoctoral fellow in the group of Carme Rovira at the Computer Simulation & Modeling Laboratory (CoSMoLab) in Barcelona, Spain.
1 October 2009
Kristen Marino
Kristen Marino has joined our group with a post-doctoral project supervised by Peter Bolhuis.
11 September 2009
Rosanne Zeiler seminar
On Friday September 11 Rosanne Zeiler will give a presentation about her literature project for her master. The title of the talk is: The Coiling of Coiled Coils. The presentation is in B4.32 and starts at 11.00.
4 September 2009
Vanessa Ortiz seminar
Dr. Vanessa Ortiz from the University of Wisconsin-Madison, USA, will give a seminar on Friday 4 September at 13.00. The location will be: room B2.44. The title of the seminar is: Molecular Origins of DNA Flexibility: Sequence Effects on Conformational and Mechanical Properties.
1 August 2009
New group member
Weina Du joins the group with a PhD project on Multiple State Transition Path Sampling under supervision of professor Peter Bolhuis.
1 June 2009
Aangeslagen enzymen in C2W (June)
Issue 11 (30 May) of C2W, the Dutch chemistry newsmagazine, contains an interesting article on "Excited Enzymes" based on interviews with Bernd Ensing, Rienk van Grondelle (VU Amsterdam), and Yves Engelborghs (K.U.Leuven).
11 June 2009
ACMM Symposium
The next meeting of the Amsterdam Center of Multiscale Modeling takes place at the Vrije Universiteit Amsterdam starting at 13.30. The programme...
13 May 2009
David van der Spoel seminar
Prof. dr. David van der Spoel from Uppsala University, Sweden, will give a seminar on Wednesday 13 May 2009 at 15.00. The location will be: room C206. The title of the seminar will be: Kinetics and Thermodynamics from MD Simulations.
4 May 2009
Vladimir Perez visit
Vladimir Perez from the University of the Sciences in Philadelphia visits the group until 22 May. He will work with Bernd Ensing on multiscale molecular dynamics simulations of water
7 April 2009
KNAW Biophysics meeting
The KNAW Biophysics meeting takes place from 14.00 - 17.00 at the KNAW building, Het Trippenhuis (Kloveniersburgwal 29, Amsterdam). One of the speakers is Jocelyne Vreede; she will speak about "Light-induced unfolding pathways in Photoactive Yellow Protein".
6 April 2009
New group member
We are welcoming a new post-doc in the group: Wolfgang Lechner.
4 February 2009
Wolfgang Lechner seminar
Wolfgang Lechner from the Computational Physics group at the University of Vienna will give a seminar on "Structure and interactions of defects in colloidal crystals" at 14.00 hr in room B4.32.
1 February 2009
Two new group members
Somewhat belated news: Bruno Barbosa Rodrigues and Zerihun Workineh have joined our group with Master of Sciences projecs on modeling of self-assembly of silk-based block co-polymers and coiled coil complex formation respectively.
26-27 January 2009
Spectroscopie & Theorie meeting
Yearly meeting of the NWO studiegroep Spectroscopie & Theorie in Lunteren.
8 December 2009
ACMM Symposium
The next meeting of the Amsterdam Center of Multiscale Modeling takes place at the UvA. The programme...
5-16 January 2009
Molsim course
The next Understanding Molecular Simulations (MolSim 2009) course will take place in the group. Registration and information will follow on the CECAM website
11 December 2008
Peter Bolhuis wins Vici
Peter Bolhuis has received a Vici grant for his proposal "Samenwerkende eiwitten"
11 December 2008
Remus Dame seminar
Remus T. Dame (Cell Observato ry, Leiden Institute of Chemistry, Leiden University and Physics of Complex Systems, Department of Physics and Astronomy, VU University, Amsterdam) will give a seminar on Unravelling the organization of bacterial chromatin by H-NS.
7 November 2008
Anna Pavlova seminar
Anna Pavlova will give a seminar on Theoretical Investigation of Reductive Silylation of Imines with Trichlorosilane. Anna has studied Chemistry and Chemical Engineering at the Royal Insitute for Technology in Stockholm. She will start next month as a PhD student in our group.
5 November 2008
Prof. Wenchuan Wang visit
Professor Wenchuan Wang from the Beijing University of Chemical Technology will visit the group and give a presentation entitled Hydrogen storage in novel materials of silicon nanotube and covalent organic frameworks (COFs): A multiscale method in computer simulation
4 November 2008
PhD thesis defense
Bei Liu will defend her PhD thesis entitled Molecular simulation studies of adsorption and diffusion. Phenomena of gases in porous materials in the Agnietenkapel at 14.00 hr.
1 November 2008
Three new group members
Murat Kilic, Anna Pavlova and Grisell Diaz Leines join the group with PhD projects on photoactive proteins and homogeneous catalysis.
30 September 2008
PhD thesis defense
Bastiaan Huisman will defend his PhD thesis entitled Dynamical and structural self-organization;A study of friction, liquid-crystal nucleau growth, and supramolecular polymers through simple models
12 September 2008
PhD thesis defense
Elske Leenders will defend her PhD thesis entitled Proton transfer in the photocycle of the photoactive yellow protein.
9 September 2008
PhD thesis defense
Arjen Berkenbos will defend his PhD thesis entitled Dynamics of Polymers by Novel Mesoscopic Methods.
1 Augustus 2008
Jocelyne wins Veni
Jocelyne Vreede has received a Veni grant for her proposal "How do proteins communicate? Investigating function, formation and interactions of coiled coil complexes"
25 July 2008
Giovanna Zilibotti visit
Giovanna Zilibotti is currently a theoretical physics postdoc at Cecam in Lyon, France. She visits the group and gives a seminar, entitled "Ab initio analysis of friction between C-diamond surfaces".
26 June 2008
ACMM Symposium
Formal opening symposium of the Amsterdam Center for Multiscale Modeling. Click here for the programme...
25 June - 9 July
Dr. Steve Nielsen visit
Dr. Steven (Steve) Nielsen from the University of Texas at Dallas (USA) visits the group and gives a seminar, on Wednesday, 2 July, entitled Nanoparticle localization energy at the oil/water interface: How to fix Young's equation.
19 June 2008
PhD thesis defense
Ranieri Argentini will defend his PhD thesis entitled "Flow and flexibility; applications in biophysics" at 12.00 in the Agnietenkapel.
29 May 2008
PhD thesis defense
Jarek Juraszek will defend his PhD thesis entitled Proteins in Action; Simulations of Conformational changes in small proteins.
23 May 2008
Wouter den Otter visit
Dr. Wouter den Otter from the Computational Biophysics group of the University of Twente will visit the group and give a seminar.
13-17 May 2008
Cecam CPMD/BOMD Tutorial
Tutorial on First principles molecular dynamics simulations in condensed matter and molecular physics organised by Rodolphe Vuilleumier, Evert Jan Meijer, and Joost VandeVondele in CECAM-ENS, Lyon, France. Click here for the website.
25 April 2008
Oliwia Szklarczyk visit
Oliwia Szklarczyk from the Biophysics group of the Warsaw University (Poland) visits the group and gives a seminar on Friday 25 April, entitled Electrostatic Contributions to the Free Energy of Binding of mRNA caps to the eIF4E Translational Factor.
14-16 April 2008
Carla Bosia visit
Carla Bosia from the Theoretical Physics group of the University of Turin (Italy) visits the group and gives a seminar on Tuesday 15 April, entitled Nucleation phenomena in biological systems.
18-22 Februari 2008
ESI workshop
Workshop on Metastability and Rare Events in Complex Systems organised by Bolhuis, Dellago and Vanden Eijnden in Vienna, Austria. Click here for the website.
Februari 2008
Congratulations
Congratulations to Jocelyne Vreede with the birth of her son (Casper) and also to Arjen Berkenbos with his daughter (Fiona)!!
7-8 February 2008
Manuel Dömer visit
Manuel Dömer visits the group and gives a seminar on Wednesday, 7 February, entitled Towards Two-Level Force Fields for Photochemical Switches.
1 February 2008
One-year visitor
Dr. Xiandong Liu from the Nanjing University (Department of Earth Sciences) in China has arrived. He will stay and work with our group for one year.
28-29 January 2008
Spectroscopie & Theorie meeting
Yearly meeting of the NWO studiegroep Spectroscopie & Theorie in Lunteren.
22-23 January 2008
FOM meeting
Yearly Physics@FOM meeting in Veldhoven
7-18 January 2008
Molsim course
The next Understanding Molecular Simulations (MolSim) course is taking place in the group. Click here for the programme on the CECAM website.
6 December 2007
ACMM Symposium
The second meeting of the Amsterdam Center of Multiscale Modeling takes place at the UvA. The programme...
5-7 December 2007
Dr. Robertazzi visit
Dr A. (Arturo) Robertazzi from the International School of Advanced Studies (SISSA, Trieste, Italy) visits the group and gives a seminar on Friday, 7 December, entitled Theoretical studies of systems of biological interest.
22 November 2007
HRSMC Symposium
The next meeting of the Holland Research School of Molecular Chemistry takes place at the UvA. The programme...
13 November 2007
Prof Bolhuis onderzoek uitgelicht
Peter Bolhuis talks about his research as professor of Simulations of Biomolecular Systems. Read the article (in Dutch)...
7-14 November 2007
Christof Drechsel-Grau visit
Christof Drechsel-Grau from the Computational Physical Chemistry of Condensed Molecular Systems group (Cambridge University, U.K) visits the group and gives a seminar on Monday, 12 November, 1 PM, entitled Investigation of redox reactions by transition path sampling.
12 October 2007
Oration by Prof. P.G. (Peter) Bolhuis
Peter Bolhuis will deliver his acceptance speech entitled Onwaarschijnlijke verhalen over virtuele moleculen...
3 September 2007
Group happening.
The previously announced as group BBQ, but due to bad weather forcasts transformed into group Tapas and Chocolate Fondue happening is taking place Monday night.
1 September 2007
New staff member.
Dr. Bernd Ensing has joined the group with a Vidi project on photoactive proteins.