Publications of Johannes Margraf
All genres
Journal Article (21)
Journal Article
12 (12), pp. 4536 - 4546 (2021)
Data-efficient machine learning for molecular crystal structure prediction. Chemical Science Book Chapter (1)
Book Chapter
Accelerating molecular materials discovery with machine-learning. In: High-Performance Computing and Data Science in the Max Planck Society, pp. 40 - 41. Max Planck Computing and Data Facility, Garching (2021)
Talk (20)
Talk
Science Driven Chemical Machine Learning. 12th SolTech Conference 2023, Würzburg, Germany (2023)
Talk
A Personal Perspective on ML Interatomic Potentials. Crash TEsting machine learning force fields: Applicability, best practices, limitations (TEA 2023), Luxembourg, Luxembourg (2023)
Talk
Science-Driven Chemical Machine Learning. MCIC 2023: Materials Science Meets Artificial Intelligence – Advancements in Research and Innovation, Bochum, Germany (2023)
Talk
Robust and Electrostatics-Aware Machine Learning Potentials. CECAM Psi-k Research Conference, Bridging Length Scales with Machine Learning, Berlin, Germany (2023)
Talk
Physical Description of Long-Range Interactions in Atomistic Machine Learning Models. Seminars on Machine Learning in Quantum Chemistry and Quantum Computing for Quantum Chemistry (SMLQC), Online Event (2023)
Talk
Science-Driven Chemical Machine Learning. Colloquium for theoretical chemistry, Universität Marburg , Online Event (2023)
Talk
Science Driven Chemical Machine Learning. Thomas Young Center-FHI Workshop, London, UK (2023)
Talk
Integrating Machine Learning and Electronic Structure Theory. Seminar, Department of Chemistry, Humboldt-Universität zu Berlin, Berlin, Germany (2023)
Talk
Science Driven Chemical Machine Learning. Seminar, Debye Institute for Nanomaterials Science, Utrecht University, Utrecht, The Netherlands (2022)
Talk
∆-Learning with DFTB: What makes a good baseline? Workshop, Multi-Scale Quantum Mechanical Analysis of Condensed Phase Systems: Methods and Applications, Telluride Science Research Center, Telluride, CO, USA (2022)
Talk
Predicting Molecular Properties through Machine Learned Energy Functionals. Seminar, VirtMat, Karlsruhe Institute of Technology (KIT), Online Event (2022)
Talk
Heterogeneous Catalysis in Grammar School. FHI-Workshop on Current Research at the Interface of Physics and Chemistry, Potsdam, Germany (2022)
Talk
Predicting Molecular Properties through Machine Learned Energy Functionals. ML4M 2022, Young Researcher’s Workshop on Machine Learning for Materials 2022, Trieste, italy (2022)
Talk
Describing Complex Polar Materials With Physics-Enhanced Machine Learning. ACS Spring Meeting 2022, Symposium, Complexity in Computational Catalysis: Balancing Model and Method Accuracy: Machine Learning and Kinetic Modeling, Online Event (2022)
Talk
Data-Efficient Chemical Machine Learning. KAIST Theory Seminar, Seoul, South Korea, Online Event (2022)
Talk
Data-Efficient Chemical Machine Learning. Institutskolloquium, Institute of Chemistry, University of Potsdam, Online Event (2022)
Talk
Chemical ML Beyond Established Benchmark Datasets. Workshop, ELLIS Machine Learning (ML) for Molecule Discovery, Online Event (2021)
Talk
Predicting Molecular Properties Through Machine Learned Energy Functionals. Discussion Meeting, GdR REST Machine Learning (ML), Online Event (2021)