| 1. | D. Koner; M. Meuwly Potential Energy Surfaces for Polyatomic Molecules from Energies and Gradients Using Reproducing Kernel Hilbert Space Interpolation Journal Article In: J. Chem. Theo. Comput., vol. 16, pp. 5474–5484, 2020. @article{MM.koner.jctc:2020,
title = {Potential Energy Surfaces for Polyatomic Molecules from Energies and Gradients Using Reproducing Kernel Hilbert Space Interpolation},
author = {D. Koner and M. Meuwly},
year = {2020},
date = {2020-01-01},
journal = {J. Chem. Theo. Comput.},
volume = {16},
pages = {5474–5484},
keywords = {machine learning, potential energy surfaces, reproducing kernel, RKHS},
pubstate = {published},
tppubtype = {article}
}
|
| 2. | D. Koner; J. C. San Vicente Veliz; R. J. Bemish; M. Meuwly Accurate Reproducing Kernel-Based Potential Energy Surfaces for the Triplet Ground States of N2O and Dynamics for the N+NO↔O+N2 and N2+O→2N+O Reactions Journal Article In: PCCP, vol. 22, pp. 18488-18498, 2020. @article{MM.koner.pccp:2020,
title = {Accurate Reproducing Kernel-Based Potential Energy Surfaces for the Triplet Ground States of N2O and Dynamics for the N+NO↔O+N2 and N2+O→2N+O Reactions},
author = {D. Koner and J. C. San Vicente Veliz and R. J. Bemish and M. Meuwly},
year = {2020},
date = {2020-01-01},
journal = {PCCP},
volume = {22},
pages = {18488-18498},
keywords = {Hypersonics, N2O, RKHS},
pubstate = {published},
tppubtype = {article}
}
|
| 3. | D. Koner; M. Schwilk; S. Patra; E. J. Bieske; M. Meuwly N+3 : Full-Dimensional Potential Energy Surface, Vibrational Energy Levels and Ground State Dynamics Journal Article In: J. Chem. Phys., vol. 153, pp. 044302, 2020. @article{MM.koner.jcp:2020,
title = {N+3 : Full-Dimensional Potential Energy Surface, Vibrational Energy Levels and Ground State Dynamics},
author = {D. Koner and M. Schwilk and S. Patra and E. J. Bieske and M. Meuwly},
year = {2020},
date = {2020-01-01},
journal = {J. Chem. Phys.},
volume = {153},
pages = {044302},
keywords = {RKHS, Vibrational Spectroscopy},
pubstate = {published},
tppubtype = {article}
}
|
| 4. | S. M. Salehi; D. Koner; M. Meuwly
Vibrational Spectroscopy of N − 3 in the Gas and Condensed Phase Journal Article In: J. Phys. Chem. B, vol. 123, pp. 3282-3290, 2019. @article{MM.salehi.jpcb:2019,
title = {Vibrational Spectroscopy of N − 3 in the Gas and Condensed Phase},
author = {S. M. Salehi and D. Koner and M. Meuwly
},
year = {2019},
date = {2019-01-01},
journal = {J. Phys. Chem. B},
volume = {123},
pages = {3282-3290},
keywords = {2D IR, Computational Infrared Spectroscopy, RKHS},
pubstate = {published},
tppubtype = {article}
}
|
