%0 Journal Article %1 zills2024collaboration %A Zills, Fabian %A Schäfer, Moritz René %A Segreto, Nico %A Kästner, Johannes %A Holm, Christian %A Tovey, Samuel James %D 2024 %I American Chemical Society %J The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry %K ubs_20003 ubs_20014 ubs_40065 unibibliografie ubs_10003 ubs_10008 ubs_30136 ubs_30039 ubs_40216 wos mult %N 15 %P 3662-3676 %R 10.1021/acs.jpcb.3c07187 %T Collaboration on Machine-Learned Potentials with IPSuite : A Modular Framework for Learning-on-the-Fly %V 128

@article{zills2024collaboration, added-at = {2024-10-28T10:36:10.000+0100}, affiliation = {Zills, F (Corresponding Author), Univ Stuttgart, Inst Computat Phys, D-70569 Stuttgart, Germany. Schäfer, MR (Corresponding Author), Univ Stuttgart, Inst Theoret Chem, D-70569 Stuttgart, Germany. Zills, Fabian; Holm, Christian; Tovey, Samuel, Univ Stuttgart, Inst Computat Phys, D-70569 Stuttgart, Germany. Schaefer, Moritz Rene; Segreto, Nico; Kaestner, Johannes, Univ Stuttgart, Inst Theoret Chem, D-70569 Stuttgart, Germany.}, author = {Zills, Fabian and Schäfer, Moritz René and Segreto, Nico and Kästner, Johannes and Holm, Christian and Tovey, Samuel James}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2516bf08a347f51503d35db371217f032/unibiblio}, doi = {10.1021/acs.jpcb.3c07187}, interhash = {36fdf4573e5a2d99a57a4efc60f72f55}, intrahash = {516bf08a347f51503d35db371217f032}, issn = {{1520-6106} and {1520-5207}}, journal = {The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry}, keywords = {ubs_20003 ubs_20014 ubs_40065 unibibliografie ubs_10003 ubs_10008 ubs_30136 ubs_30039 ubs_40216 wos mult}, language = {eng}, number = 15, orcid-numbers = {Holm, Christian/0000-0003-2739-310X Zills, Fabian/0000-0002-6936-4692 Schafer, Moritz/0000-0001-8474-5808 Tovey, Samuel/0000-0001-9537-8361 Kastner, Johannes/0000-0001-6178-7669}, pages = {3662-3676}, publisher = {American Chemical Society}, research-areas = {Chemistry}, researcherid-numbers = {Holm, Christian/C-2134-2009}, timestamp = {2024-12-10T15:07:51.000+0100}, title = {Collaboration on Machine-Learned Potentials with IPSuite : A Modular Framework for Learning-on-the-Fly}, unique-id = {WOS:001196540000001}, volume = 128, year = 2024 }