The “Math colloquium” is a special event in honor of former HITS group leader and alumna Anna Wienhard (Groups and Geometry group), who took up her new position as Director of the Max Planck Institute for Mathematics in the Sciences in November 2022. The distinguished speakers at the colloquium are: Steve Trettel, University of San […]
The 8th SIMPLAIX internal project meeting will take place at the Studio Villa Bosch, Heidelberg.
By Rafal Weron, Wroclaw University of Science and Technology, Poland Although electricity price forecasting aims at predicting both spot and forward prices, the vast majority of research is focused on short-term horizons which exhibit dynamics unlike in any other market. The reason is that power system stability calls for a constant balance between production and […]
By Fernanda Duarte, Department of Chemistry, University of Oxford, UK Efficiently and accurately modelling chemical reactions in the condensed phase stands as one of the ‘grand challenges’ in computational chemistry. Although characterizing reaction energy pathways has become routine, the exploration of intricate reaction mechanisms remains a time-consuming and non-systematic endeavour, even for experienced computational […]
The 9th SIMPLAIX internal project meeting will take place at the Mathematikon, Heidelberg.
The upcoming FAIRDOM user meeting will focus on presentations by FAIRDOM team members including: - Update about features under development (e.g. Samples in FAIRDOM-SEEK) - Presentation of the current roadmap - Discussion about future plans (e.g. integration of other tools) All participants of the meeting are invited to contribute to the discussions and to ask […]
By Volker Deringer, Department of Chemistry, University of Oxford, UK Machine learning (ML) based interatomic potential models are increasingly popular simulation tools for molecular and materials systems and hold promise for use on exascale supercomputers . ML potentials are fitted to large sets of quantum-mechanical reference data, and therefore developing high-quality datasets and automated […]
By Laura Maria Sangalli, MOX - Dipartimento di Matematica, Politecnico di Milano, Italy Recent years have seen an explosive growth in the recording of increasingly complex and high-dimensional data, whose analysis calls for the definition of new methods, merging ideas and approaches from statistics and applied mathematics. My talk will focus on spatial […]
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 […]
The 10th SIMPLAIX internal project meeting will take place online.
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