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Journal of Chemical Theory and Computation
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February 2, 2026
Enhanced Representation-Based Sampling for the Efficient Generation of Data Sets for Machine-Learned Interatomic Potentials
Moritz R Schäfer, Johannes Kästner
The Journal of Chemical Physics
|
April 30, 2022
Adaptive fitting of potential energy surfaces of small to medium-sized molecules in sum-of-product form: Application to vibrational spectroscopy
Antoine Aerts, Moritz R Schäfer, Alex Brown
The Journal of Chemical Physics
|
March 3, 2025
Accuracy of charge densities in electronic structure calculations
Moritz Gubler, Moritz R Schäfer, Jörg Behler, et al.
Journal of Chemical Information and Modeling
|
July 30, 2025
Apax: A Flexible and Performant Framework for the Development of Machine-Learned Interatomic Potentials
Moritz R Schäfer, Nico Segreto, Fabian Zills, et al.
Journal of Chemical Theory and Computation
|
August 16, 2024
Accelerating Fourth-Generation Machine Learning Potentials Using Quasi-Linear Scaling Particle Mesh Charge Equilibration
Moritz Gubler, Jonas A Finkler, Moritz R Schäfer, et al.
Angewandte Chemie (International Ed. in English)
|
October 2, 2020
Towards Understanding the Reactivity and Optical Properties of Organosilicon Sulfide Clusters
Katharina Hanau, Sebastian Schwan, Moritz R Schäfer, et al.
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Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
February 2, 2026
Enhanced Representation-Based Sampling for the Efficient Generation of Data Sets for Machine-Learned Interatomic Potentials
Moritz R Schäfer, Johannes Kästner
The Journal of Chemical Physics
|
April 30, 2022
Adaptive fitting of potential energy surfaces of small to medium-sized molecules in sum-of-product form: Application to vibrational spectroscopy
Antoine Aerts, Moritz R Schäfer, Alex Brown
The Journal of Chemical Physics
|
March 3, 2025
Accuracy of charge densities in electronic structure calculations
Moritz Gubler, Moritz R Schäfer, Jörg Behler, et al.
Journal of Chemical Information and Modeling
|
July 30, 2025
Apax: A Flexible and Performant Framework for the Development of Machine-Learned Interatomic Potentials
Moritz R Schäfer, Nico Segreto, Fabian Zills, et al.
Journal of Chemical Theory and Computation
|
August 16, 2024
Accelerating Fourth-Generation Machine Learning Potentials Using Quasi-Linear Scaling Particle Mesh Charge Equilibration
Moritz Gubler, Jonas A Finkler, Moritz R Schäfer, et al.
Angewandte Chemie (International Ed. in English)
|
October 2, 2020
Towards Understanding the Reactivity and Optical Properties of Organosilicon Sulfide Clusters
Katharina Hanau, Sebastian Schwan, Moritz R Schäfer, et al.
Page
of 1