Prof. Dr. Jörg Behler

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  • 2019 | Journal Article
    ​ ​Library-Based LAMMPS Implementation of High-Dimensional Neural Network Potentials​
    Singraber, A.; Behler, J.   & Dellago, C.​ (2019) 
    Journal of Chemical Theory and Computation, 15(3) pp. 1827​-1840​.​ DOI: https://doi.org/10.1021/acs.jctc.8b00770 
    ​Details  DOI 
  • 2019 | Journal Article
    ​ ​Parallel Multistream Training of High-Dimensional Neural Network Potentials​
    Singraber, A.; Morawietz, T.; Behler, J.   & Dellago, C.​ (2019) 
    Journal of Chemical Theory and Computation, 15(5) pp. 3075​-3092​.​ DOI: https://doi.org/10.1021/acs.jctc.8b01092 
    ​Details  DOI 
  • 2019 | Journal Article
    ​ ​Ab initio thermodynamics of liquid and solid water​
    Cheng, B.; Engel, E. A.; Behler, J. ; Dellago, C. & Ceriotti, M.​ (2019) 
    Proceedings of the National Academy of Sciences of the United States of America, 116(4) pp. 1110​-1115​.​ DOI: https://doi.org/10.1073/pnas.1815117116 
    ​Details  DOI  PMID  PMC  arXiv 
  • 2018 | Journal Article | 
    ​ ​Density anomaly of water at negative pressures from first principles​
    Singraber, A.; Morawietz, T.; Behler, J.   & Dellago, C.​ (2018) 
    Journal of Physics: Condensed Matter, 30(25) pp. 254005​.​ DOI: https://doi.org/10.1088/1361-648X/aac4f4 
    ​Details  DOI 

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