|
ID
|
Author
|
Year
|
Title
|
Publisher
|
| 4638636 |
Turan, Haydar Taylan; Meuwly, Markus |
2021 |
Spectroscopy, Dynamics and Hydration of S-Nitrosylated Myoglobin |
Journal of Physical Chemistry B |
| 4638690 |
Kaser, Silvan; Boittier, Eric D.; Upadhyay, Meenu; Meuwly, Markus |
2021 |
Transfer Learning to CCSD (T): Accurate Anharmonic Frequencies from Machine Learning Models |
Journal of Chemical Theory and Computation |
| 4638705 |
Mondal, Padmabati; Cazade, Pierre-André; Das, Akshaya K.; Bereau, Tristan; Meuwly, Markus |
2021 |
Multipolar Force Fields for Amide-I Spectroscopy from Conformational Dynamics of the Alanine-Trimer |
Journal of Physical Chemistry B |
| 4638719 |
Upadhyay, Meenu; Meuwly, Markus |
2021 |
Energy Redistribution following CO2 Formation on Cold Amorphous Solid Water |
Frontiers in Chemistry |
| 4638713 |
Upadhyay, Meenu; Meuwly, Markus |
2021 |
Thermal and Vibrationally Activated Decomposition of the syn-CHCHOO Criegee Intermediate |
ACS Earth and Space Chemistry |
| 4638702 |
Meuwly, Markus; Karplus, Martin |
2021 |
The Functional Role of the Hemoglobin-Water Interface |
Molecular Aspects of Medicine |
| 4612910 |
Rivero, Uxia; Turan, Haydar Taylan; Meuwly, Markus; Willitsch, Stefan |
2021 |
Reactive atomistic simulations of Diels-Alder-type reactions: conformational and dynamic effects in the polar cycloaddition of 2,3-dibromobutadiene radical ions with maleic anhydride |
Molecular Physics |
| 4638680 |
Salehi, S. M.; Meuwly, M. |
2021 |
Site-Selective Dynamics of Azidolysozyme |
Journal of Chemical Physics |
| 4638708 |
Käser, Silvan; Meuwly, Markus |
2021 |
Transfer Learned Potential Energy Surfaces: Accurate Anharmonic Vibrational Dynamics and Dissociation Energies for the Formic Acid Monomer and Dimer |
Physical Chemistry Chemical Physics |
| 4620591 |
Veliz, Juan Carlos San Vicente; Koner, Debasish; Schwilk, Max; Bemish, Raymond J.; Meuwly, Markus |
2021 |
The C(P-3) + O-2((3)sigma(-)(g)) -> CO2 CO((1)sigma(+)) + O(D-1)/O(P-3) reaction: thermal and vibrational relaxation rates from 15 K to 20 000 K |
Physical Chemistry Chemical Physics |
| 4638692 |
Upadhyay, Meenu; Pezzella, Marco; Meuwly, Markus |
2021 |
Genesis of Polyatomic Molecules in Dark Clouds: CO2 Formation on Cold Amorphous Solid Water |
The journal of physical chemistry letters |
| 4601924 |
Koner, Debasish; San Vicente Veliz, Juan Carlos; Bemish, Raymond J.; Meuwly, Markus |
2020 |
Accurate reproducing kernel-based potential energy surfaces for the triplet ground states of N; 2; O and dynamics for the N + NO ↔ O + N; 2; and N; 2; + O → 2N + O reactions |
Physical Chemistry Chemical Physics |
| 4612216 |
Kaser, Silvan; Unke, Oliver T.; Meuwly, Markus |
2020 |
Isomerization and decomposition reactions of acetaldehyde relevant to atmospheric processes from dynamics simulations on neural network-based potential energy surfaces |
Journal of Chemical Physics |
| 4612209 |
Koner, Debasish; Meuwly, Markus |
2020 |
Permutationally Invariant, Reproducing Kernel-Based Potential Energy Surfaces for Polyatomic Molecules: From Formaldehyde to Acetone |
Journal of Chemical Theory and Computation |
| 4627881 |
Devereux, Mike; Pezzella, Marco; Raghunathan, Shampa; Meuwly, Markus |
2020 |
Polarizable Multipolar Molecular Dynamics Using Distributed Point Charges |
Journal of Chemical Theory and Computation |
| 4612215 |
Koner, Debasish; Salehi, Seyedeh Maryam; Mondal, Padmabati; Meuwly, Markus |
2020 |
Non-conventional force fields for applications in spectroscopy and chemical reaction dynamics |
Journal of Chemical Physics |
| 4612207 |
Kaeser, Silvan; Koner, Debasish; Christensen, Anders S.; von Lilienfeld, O. Anatole; Meuwly, Markus |
2020 |
Machine Learning Models of Vibrating H2CO: Comparing Reproducing Kernels, FCHL, and PhysNet |
Journal of Physical Chemistry A |
| 4612211 |
Arnold, Julian; Koner, Debasish; Kaeser, Silvan; Singh, Narendra; Bemish, Raymond J.; Meuwly, Markus |
2020 |
Machine Learning for Observables: Reactant to Product State Distributions for Atom-Diatom Collisions |
Journal of Physical Chemistry A |
| 4612217 |
Kaser, Silvan; Unke, Oliver T.; Meuwly, Markus |
2020 |
Reactive dynamics and spectroscopy of hydrogen transfer from neural network-based reactive potential energy surfaces |
New Journal of Physics |
| 4612212 |
Koner, Debasish; Bemish, Raymond J.; Meuwly, Markus |
2020 |
Dynamics on Multiple Potential Energy Surfaces: Quantitative Studies of Elementary Processes Relevant to Hypersonics |
The Journal of Physical Chemistry A |
