| 1. | O. T. Unke; D. Koner; S. Patra; S. Käser; M. Meuwly High-Dimensional Potential Energy Surfaces for Molecular Simulations Journal Article In: Mach. Learn. Sci. Tech., vol. 1, pp. 013001, 2020. @article{MM.unke.mlst:2020,
title = {High-Dimensional Potential Energy Surfaces for Molecular Simulations},
author = {O. T. Unke and D. Koner and S. Patra and S. Käser and M. Meuwly},
year = {2020},
date = {2020-01-01},
journal = {Mach. Learn. Sci. Tech.},
volume = {1},
pages = {013001},
keywords = {machine learning, Molecular Simulation, Molecular Simulations, potential energy surfaces},
pubstate = {published},
tppubtype = {article}
}
|
| 2. | S. Käser; O. T. Unke; M. Meuwly Reactive Dynamics and Spectroscopy of Hydrogen Transfer from Neural Network-Based Reactive Potential Energy Surfaces Journal Article In: New J. Phys., vol. 22, pp. 055002, 2020. @article{MM.kaeser.njp:2020,
title = {Reactive Dynamics and Spectroscopy of Hydrogen Transfer from Neural Network-Based Reactive Potential Energy Surfaces},
author = {S. Käser and O. T. Unke and M. Meuwly},
year = {2020},
date = {2020-01-01},
journal = {New J. Phys.},
volume = {22},
pages = {055002},
keywords = {machine learning, Molecular Simulations, Neural Networks, Proton Transfer},
pubstate = {published},
tppubtype = {article}
}
|
| 3. | K. El Hage; F. Hedin; P. K. Gupta; M. Meuwly; M. Karplus Valid Molecular Dynamics Simulations of Human Hemoglobin Require a Surprisingly Large Box Size Journal Article In: eLife, vol. 7, pp. e35560, 2018. @article{MM.hemoglobin:2018,
title = {Valid Molecular Dynamics Simulations of Human Hemoglobin Require a Surprisingly Large Box Size},
author = {K. El Hage and F. Hedin and P. K. Gupta and M. Meuwly and M. Karplus},
year = {2018},
date = {2018-01-01},
journal = {eLife},
volume = {7},
pages = {e35560},
keywords = {Hemoglobin, Molecular Dynamics, Molecular Simulations},
pubstate = {published},
tppubtype = {article}
}
|
