Moritz R. Schäfer

University of Stuttgart — Germany

Materials Science · Physical Sciences

5h-index84citations26works3.92yr avg
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Research Topics

Machine Learning in Materials Science(6), Crystallization and Solubility Studies(5), X-ray Diffraction in Crystallography(5), Crystal Structures and Properties(4), Organometallic Compounds Synthesis and Characterization(3)

Publications26 total

apax-hub/apax: v0.13.0
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Enhanced Representation-Based Sampling for the Efficient Generation of Data Sets for Machine-Learned Interatomic Potentials
Journal of Chemical Theory and Computation·2026Open Access
Enhanced Representation-Based Sampling for the Efficient Generation of Datasets for Machine-Learned Interatomic Potentials
arXiv (Cornell University)·2026Open Access
bfcluster: Buttler-Fickel Distance and R2 for Mixed-Scale Cluster Analysis
2025Open Access
Apax: A Flexible and Performant Framework for the Development of Machine-Learned Interatomic Potentials
Journal of Chemical Information and Modeling·2025· 4 citedOpen Access
Origin of Stereoselectivity in Ring Opening Metathesis Polymerization with Cationic Molybdenum Imido Alkylidene CAAC Complexes
ACS Catalysis·2024· 1 cited
Accuracy of Charge Densities in Electronic Structure Calculations
arXiv (Cornell University)·2024· 1 citedOpen Access
Accelerating Fourth-Generation Machine Learning Potentials Using Quasi-Linear Scaling Particle Mesh Charge Equilibration
Journal of Chemical Theory and Computation·2024· 19 citedOpen Access
Collaboration on Machine-Learned Potentials with IPSuite: A Modular Framework for Learning-on-the-Fly
The Journal of Physical Chemistry B·2024· 12 cited
ZnTrack -- Data as Code
arXiv (Cornell University)·2024· 2 citedOpen Access
Machine learning-driven investigation of the structure and dynamics of the BMIM-BF<sub>4</sub> room temperature ionic liquid
Faraday Discussions·2024· 4 citedOpen Access
CCDC 2205008: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
Genome-scale CRISPR Screens Identify Host Factors that Promote Human Coronavirus Infection
2021· 5 citedOpen Access
Frontispiz: Towards Understanding the Reactivity and Optical Properties of Organosilicon Sulfide Clusters
Angewandte Chemie·2021
Frontispiece: Towards Understanding the Reactivity and Optical Properties of Organosilicon Sulfide Clusters
Angewandte Chemie International Edition·2021Open Access
CCDC 2015923: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
CCDC 2015924: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
CCDC 2015925: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
CCDC 2015922: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
SF3B1 promotes tumor malignancy through splicing-independent activation of HIF1α
2020· 1 citedOpen Access
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Frequent Co-authors

Katharina Hanau(8), Sebastian Schwan(8), Marius J. Müller(8), Christof Dues(8), Niklas Rinn(8), Simone Sanna(8), Sangam Chatterjee(8), Doreen Mollenhauer(8), Stefanie Dehnen(8), Johannes Kästner(7), Fabian Zills(4), Christian Holm(4), Nico Segreto(3), Samuel Tovey(3), Jörg Behler(2), Stefan Goedecker(2), Andreas Wannhoff(2), Karel Caca(2), Moritz Gubler(1), Jonas A. Finkler(1)