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  • Eike Hermann Müller: Efficient fast multipole methods for (kinetic) Monte Carlo simulations of interacting particle systems

    By Eike Hermann Müller, Department of Mathematical Sciences, University of Bath, UK Including electrostatics in (kinetic) Monte Carlo simulations of interacting particles is challenging due to the long-range nature of the Coulomb potential. As a result, the computational complexity grows rapidly with N, the number of particles in the system. While the Fast Multipole Method […]

  • Tools for Systems biology modeling and data exchange: COPASI, CellNetAnalyzer, SABIO-RK, FAIRDOMHub/SEEK

    Heidelberg Heidelberg, Germany

    During this 3-day course, attendees will learn basic techniques for modeling of biochemical networks including data access and storage due to the FAIR principles. The first day introduces principles of stoichiometric and constraint-based modeling coupled with hands on exercises using CellNetAnalyzer. The second day continues with kinetic modeling techniques which will be illustrated and exercised […]

  • 5th SIMPLAIX internal project meeting

    Studio Villa Bosch Schloss-Wolfsbrunnenweg 33, Heidelberg, Germany

    See more about the event here: https://www.h-its.org/2022/09/16/simplaix-no-5/

  • Colloquium Sarbani Basu: Learning physics through astronomy – the Sun and Stars as laboratories

    By Sarbani Basu, Department of Astronomy, Yale University, USA We normally rely on physics to interpret and understand astrophysical processes. However, with precise seismic data from the Sun and other stars, we can use astrophysics to inform us about the physical properties of stellar matter, and in some cases inform us even about fundamental physics. […]

  • FAIRDOM User Meeting

    Online

    The purpose of the FAIRDOM user meetings is to establish an active FAIRDOM user community to allow networking between various FAIRDOM-SEEK users and learn from each other’s experiences. Within the two-hours event invited users will showcase the use of FAIRDOMHub and other FAIRDOM-SEEK instances for their research projects. After the presentations we’ll have plenty of […]

  • Colloquium David Dao: Gainforest: Using artificial intelligence to help restore the natural world

    By David Dao, GainForest/PhD candidate ETH Zurich, Switzerland Nature has been deteriorating at rates unparalleled in human history and the implications are global. Climate change and biodiversity loss are two bullets in the same gun. Perils we face in parallel, both driven by deforestation and land use change. If global tropical deforestation were a country, […]

  • HITS-SIMPLAIX joint colloquium Michele Ceriotti: Atomic-scale modeling in the age of machine learning

    Studio Villa Bosch Schloss-Wolfsbrunnenweg 33, Heidelberg, Germany

    By Michele Ceriotti, EPFL STI SMX-GE, Lausanne, Switzerland When modeling materials and molecules at the atomic scale, achieving a realistic level of complexity and making quantitative predictions are usually conflicting goals. Data-driven techniques have made great strides towards enabling simulations of materials in realistic conditions with uncompromising accuracy. In this talk I will summarize the […]

  • Colloquium Peter Smillie: Counting fullerenes with modular forms — an application of number theory to carbon chemistry

    Studio Villa Bosch Schloss-Wolfsbrunnenweg 33, Heidelberg, Germany

    By Peter Smillie, Mathematical Institute, Heidelberg University Fullerenes are polyhedral molecules made of carbon atoms, first discovered in 1985. A few isomers are naturally occurring and many more have since been synthesised, with numerous applications across materials science, biology, and medicine. One source of theoretical interest in fullerenes is that there are a lot of […]