Publications

@article{MM.koner.jcp:2020,

title = {Non-Conventional Force Fields for Applications in Spectroscopy and Chemical Reaction Dynamics},

author = {D. Koner and S. M. Salehi and P. Mondal and M. Meuwly},

year  = {2020},

date = {2020-01-01},

journal = {J. Chem. Phys.},

volume = {153},

pages = {010901},

keywords = {Force fields, Molecular Simulation, Multipoles, Spectroscopy},

pubstate = {published},

tppubtype = {article}

}

@article{MM.unke.jctc:2019,

title = {PhysNet: A Neural Network for Predicting Energies, Forces, Dipole Moments, and Partial Charges},

author = {O. T. Unke and M. Meuwly

},

year  = {2019},

date = {2019-01-01},

journal = {J. Chem. Theo. Comput.},

volume = {15},

pages = {3678-3693},

keywords = {Force fields, machine learning},

pubstate = {published},

tppubtype = {article}

}

@article{MM.lee.pccp:2013,

title = {Hydration Free Energies of Cyanide and Hydroxide Ions from Molecular Dynamics Simulations with Accurate Force Fields},

author = {M. W. Lee and M. Meuwly},

year  = {2013},

date = {2013-01-01},

journal = {PCCP},

volume = {15},

pages = {20303},

keywords = {Cyanide, Force fields, Hydroxide, Molecular Dynamics},

pubstate = {published},

tppubtype = {article}

}

@article{MM.huang.cp:2012,

title = {Force Field Refinement from NMR Scalar Couplings},

author = {J. Huang and M. Meuwly},

year  = {2012},

date = {2012-01-01},

journal = {Chem. Phys.},

volume = {396},

pages = {116},

keywords = {Force fields, NMR Scalar Couplings},

pubstate = {published},

tppubtype = {article}

}