Welcome

The Amsterdam Center for Multiscale Modeling (ACMM) is a center for theory and multiscale modeling in chemistry, physics and biology, which core is formed by the following three research groups:

The CECAM Council has chosen ACMM and the Lorentz Center to operate as one of the European CECAM nodes as of the beginning of 2010. De CECAM-NL node will promote scientific tutorials and workshops in computational chemistry, physics and biology with a special focus on applications with inherent multiscale character and on multiscale techniques. The CECAM nodes keep close ties to promote exchange of people and knowledge between the partners and research institutes around the world.

Molecular Dynamics Day

11th of March 2016

The 6th Dutch Molecular Dynamics Day will take place on the 11th of March 2016 in Groningen. 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". Our previous meetings have brought together more than 60 participants from all around the Netherlands who have shared their research results with the audience.

If you want to attend, please register before the 29th of February using the following form. PhD's and Postdocs that would like to give a presentation can submit an abstract on the same form before the 22th of February.

We encourage researchers working on Biomolecular/Soft Matter/Granular systems who are applying not only Molecular Dynamics algorithms but also Monte Carlo techniques, Brownian Dynamics or any other many particle methods.

If you have any questions please send it to dutchmdday@gmail.com. If you know someone who might be interested, feel free to forward this e-mail.

Organisers:
Riccardo Alessandri (RUG)
Adrien Fredon (RUN)
Phaedon Brotzakis (UvA)
Sudeshna Roy (U-Twente)

ACMM seminar by Prof. Ali Alavi

Friday January 15 at 11.00 in 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 problems using Quantum Monte Carlo algorithms

The abstract of the seminar is:
In quantum chemistry there are a host of methods dealing with the strongly-correlated electron correlation problem: these range from Full Configuration Interaction (FCI), to the Multi-configurational Self-consistent field (MS-SCF), and perturbation theory. In general, these methods have a strong exponential scaling, both in terms of CPU time and worse still, in terms of CPU memory, which strongly limits applicability, generally to a few electrons (fewer than 20) in a few orbitals (fewer than 20). We have developed a new class of Quantum Monte Carlo algorithms, based on a walker representation in Hilbert space, which can be used to solve many of these problems. I will describe these algorithms, including how to compute the reduced density matrices necessary for the calculation of properties, and orbital rotations for the MCSCF procedures. I will show examples of the methodology to an Fe-porphyrin, and discuss future perspectives in applications extending the method to hundreds of atoms.

The lecture is open to everybody.