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Tobias Morawietz, Ph.D. - Publications

Affiliations: 
2016- Chemistry Stanford University, Palo Alto, CA 
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17 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Atsango AO, Morawietz T, Marsalek O, Markland TE. Developing machine-learned potentials to simultaneously capture the dynamics of excess protons and hydroxide ions in classical and path integral simulations. The Journal of Chemical Physics. 159. PMID 37581418 DOI: 10.1063/5.0162066  0.724
2022 Montoya-Castillo A, Chen MS, Raj SL, Jung KA, Kjaer KS, Morawietz T, Gaffney KJ, van Driel TB, Markland TE. Optically Induced Anisotropy in Time-Resolved Scattering: Imaging Molecular-Scale Structure and Dynamics in Disordered Media with Experiment and Theory. Physical Review Letters. 129: 056001. PMID 35960558 DOI: 10.1103/PhysRevLett.129.056001  0.708
2021 Chen MS, Morawietz T, Mori H, Markland TE, Artrith N. AENET-LAMMPS and AENET-TINKER: Interfaces for accurate and efficient molecular dynamics simulations with machine learning potentials. The Journal of Chemical Physics. 155: 074801. PMID 34418919 DOI: 10.1063/5.0063880  0.749
2020 Morawietz T, Artrith N. Machine learning-accelerated quantum mechanics-based atomistic simulations for industrial applications. Journal of Computer-Aided Molecular Design. PMID 33034008 DOI: 10.1007/s10822-020-00346-6  0.689
2020 Chen MS, Zuehlsdorff TJ, Morawietz T, Isborn CM, Markland TE. Exploiting Machine Learning to Efficiently Predict Multidimensional Optical Spectra in Complex Environments. The Journal of Physical Chemistry Letters. PMID 32808797 DOI: 10.1021/Acs.Jpclett.0C02168  0.637
2019 Morawietz T, Urbina AS, Wise PK, Wu X, Lu W, Ben-Amotz D, Markland TE. Hiding in the Crowd: Spectral Signatures of Overcoordinated Hydrogen Bond Environments. The Journal of Physical Chemistry Letters. PMID 31549833 DOI: 10.1021/Acs.Jpclett.9B01781  0.639
2019 Singraber A, Morawietz T, Behler J, Dellago C. Parallel Multistream Training of High-Dimensional Neural Network Potentials. Journal of Chemical Theory and Computation. PMID 30995035 DOI: 10.1021/Acs.Jctc.8B01092  0.713
2018 Singraber A, Morawietz T, Behler J, Dellago C. Density anomaly of water at negative pressures from first principles. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 29762140 DOI: 10.1088/1361-648X/Aac4F4  0.686
2018 Morawietz T, Marsalek O, Pattenaude SR, Streacker LM, Ben-Amotz D, Markland TE. The Interplay of Structure and Dynamics in the Raman Spectrum of Liquid Water over the Full Frequency and Temperature Range. The Journal of Physical Chemistry Letters. PMID 29394069 DOI: 10.1021/Acs.Jpclett.8B00133  0.724
2018 Morawietz T, Handl M, Oldani C, Friedrich KA, Hiesgen R. Influence of Water and Temperature on Ionomer in Catalytic Layers and Membranes of Fuel Cells and Electrolyzers Evaluated by AFM Fuel Cells. 18: 239-250. DOI: 10.1002/Fuce.201700113  0.309
2016 Morawietz T, Singraber A, Dellago C, Behler J. How van der Waals interactions determine the unique properties of water. Proceedings of the National Academy of Sciences of the United States of America. PMID 27402761 DOI: 10.1073/Pnas.1602375113  0.719
2015 Kondati Natarajan S, Morawietz T, Behler J. Representing the potential-energy surface of protonated water clusters by high-dimensional neural network potentials. Physical Chemistry Chemical Physics : Pccp. 17: 8356-71. PMID 25436835 DOI: 10.1039/C4Cp04751F  0.701
2013 Morawietz T, Behler J. A density-functional theory-based neural network potential for water clusters including van der Waals corrections. The Journal of Physical Chemistry. A. 117: 7356-66. PMID 23557541 DOI: 10.1021/Jp401225B  0.67
2013 Morawietz T, Behler J. A Full-Dimensional Neural Network Potential-Energy Surface for Water Clusters up to the Hexamer Zeitschrift FüR Physikalische Chemie. 227: 1559-1581. DOI: 10.1524/Zpch.2013.0384  0.638
2012 Morawietz T, Sharma V, Behler J. A neural network potential-energy surface for the water dimer based on environment-dependent atomic energies and charges. The Journal of Chemical Physics. 136: 064103. PMID 22360165 DOI: 10.1063/1.3682557  0.681
2012 Artrith N, Morawietz T, Behler J. Erratum: High-dimensional neural-network potentials for multicomponent systems: Applications to zinc oxide [Phys. Rev. B83, 153101 (2011)] Physical Review B. 86. DOI: 10.1103/Physrevb.86.079914  0.727
2011 Artrith N, Morawietz T, Behler J. High-dimensional neural-network potentials for multicomponent systems: Applications to zinc oxide Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.153101  0.754
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