Past Events › Colloquia

HITS organizes scientific events throughout the year. Each month, HITS hosts its colloquium series. If you like to receive an invitation, please use this registration form: https://www.h-its.org/registration/

Our research groups offer scientific workshops. Additionally, HITS offers talks and events for the general public in Heidelberg and surroundings.

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Colloquium Erin R. Johnson: Dispersion Interactions in Density-Functional Theory and Application to Molecular Crystal-Structure Prediction

Online

By Erin R. Johnson, Department of Chemistry, Department of Physics & Atmospheric Science, Dalhousie University, Halifax, Canada   The exchange-hole dipole moment (XDM) method is a density-functional model of London dispersion based upon second-order perturbation theory. The XDM dispersion coefficients are non-empirical and depend directly on the electron density and related properties, allowing variation of […]

Colloquium Lillian T. Chong: Weighted ensemble simulations of long-timescale dynamics: From chemical reactions to SARS-CoV-2

Online

By Lillian Chong, Department of Chemistry, University of Pittsburgh, USA   The weighted ensemble (WE) path sampling strategy orchestrates multiple simulations in parallel with rigorous statistical resampling at fixed time intervals to maintain rigorous kinetics. WE simulations can be orders of magnitude more efficient than standard simulations in generating unbiased, atomically detailed pathways for rare […]

Colloquium Alina Schadwinkel: Science journalism in Corona times

Online

By Alina Schadwinkel, Spektrum der Wissenschaft Verlagsgesellschaft mbH, Heidelberg What the heck is a coronavirus ? How do I protect myself? How safe and effective are the new vaccines - and when will the pandemic finally be over? For more than a year, Sars-CoV-2 has dominated the media. People are demanding information. As quickly as […]

Colloquium Warner Marzocchi: Model validation in natural hazard forecasting – a scientific perspective

  By Warner Marzocchi, Unversity of Naples, Federico II, Italy Science is rooted in the concept that a model can be tested against independent observations and rejected when necessary. However, the problem of model testing becomes formidable when we consider natural "open" systems. Owing to their scale, complexity, and openness to interactions within a larger […]

Colloquium Yuji Sugita: Parallel computing algorithms in molecular dynamics simulations for extremely large-scale biological systems

Online

  By Yuji Sugita, RIKEN, Theoretical Molecular Science, Japan Molecular dynamics (MD) simulations of nano- and biomolecules are one of the most important techniques in computational science. Protein conformational changes and protein-ligand bindings are simulated with all-atom MD simulations to elucidate molecular mechanisms underlying these biological processes. Conventionally, we can perform MD simulations of a […]

Colloquium Eva Wolfangel: Immersive Media for Science Journalism and Science Communication

  By Eva Wolfangel, Journalist, Speaker, Moderator Immersive Media like Virtual Reality and Augmented Reality offer great possibilities for science communication and science journalism. But nevertheless journalists and communicators often fail to use this new technologies creatively and in to take advantage of the possibilities they offer. In this talk we will discover some amazing […]

HITS-SIMPLAIX joint colloquium Frank Noé: Deep Learning for Molecular Physics and Chemistry

Online

By Frank Noé, Freie Universität Berlin, Fachbereich Mathematik und Informatik AI, and specifically deep ML methods have a profound impact on industry and information technology. But since recently AI methods are also changing the way we do science. In this talk I will present some of our recent efforts to build machine learning methods that […]

Colloquium Ruth Nussinov: Unraveling Oncogenic Mechanisms and their Linkage to Neurodevelopmental Disorders

Online

  By Ruth Nussinov, National Cancer Institute, Center for Cancer Research, USA Over the last few years our work has aimed to reveal oncogenic mechanisms of key oncogenic proteins in the Ras signaling network, including Ras, Raf, PI3K, PTEN, and more. We aim to understand their activation mechanisms, mutations, and signaling. During the last year […]

Colloquium Andreas Reuter: Habitual Inclination Towards Scrutiny: A Brief Reflection on How HITS Came About

Online

By Andreas Reuter Institutes can be created/established for various reasons. Universities (in Germany) do it routinely as a means of structuring their organization. Beauty parlors and private schools like to polish their image by trading under the name of „Institute of XYZ“. And then there are (a few) independent institutes that were established with a […]

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