|
ID
|
Author
|
Year
|
Title
|
Publisher
|
| 4683526 |
Kilaj, Ardita; Kaser, Silvan; Wang, Jia; Straňák, Patrik; Schwilk, Max; Xu, Lei; von Lilienfeld, O. Anatole; Küpper, Jochen; Meuwly, Markus; Willitsch, Stefan |
2023 |
Conformational and state-specific effects in reactions of 2,3-dibromobutadiene with Coulomb-crystallized calcium ions |
Physical Chemistry Chemical Physics |
| 4650952 |
Goswami, Sugata; Veliz, Juan Carlos San Vicente; Upadhyay, Meenu; Bemish, Raymond J.; Meuwly, Markus |
2022 |
Quantum and quasi-classical dynamics of the C(3P) + O2(3Σ −g) → CO(1Σ+) + O(1D) reaction on its electronic ground state |
Physical Chemistry Chemical Physics |
| 4645505 |
Toepfer, Kai; Upadhyay, Meenu; Meuwly, Markus |
2022 |
Quantitative molecular simulations |
Physical Chemistry Chemical Physics |
| 4660807 |
Boittier, Eric D.; Devereux, Mike; Meuwly, Markus |
2022 |
Molecular Dynamics with Conformationally Dependent, Distributed Charges |
Journal of Chemical Theory and Computation |
| 4660793 |
Meuwly, Markus |
2022 |
Atomistic Simulations for Reactions and Vibrational Spectroscopy in the Era of Machine Learning - Quo Vadis? |
Journal of Physical Chemistry B |
| 4660565 |
Salehi, Seyedeh Maryam; Meuwly, Markus |
2022 |
Site-Selective Dynamics of Ligand-Free and Ligand-Bound Azidolysozyme |
Journal of Clinical Physics |
| 4655682 |
Salehi, Seyedeh Maryam; Kaser, Silvan; Töpfer, Kai; Diamantis, Polydefkis; Pfister, Rolf; Hamm, Peter; Rothlisberger, Ursula; Meuwly, Markus |
2022 |
Hydration dynamics and IR spectroscopy of 4-fluorophenol |
Physical Chemistry Chemical Physics |
| 4660729 |
Turan, Haydar Taylan; Brickel, Sebastian; Meuwly, Markus |
2022 |
Solvent Effects on the Menshutkin Reaction |
Journal of Physical Chemistry B |
| 4660730 |
Salehi, Seyedeh Maryam; Meuwly, Markus |
2022 |
Cross Correlated Motions in Azidolysozyme |
Molecules |
| 4660811 |
Käser, Silvan; Richardson, Jeremy O.; Meuwly, Markus |
2022 |
Transfer Learning for Affordable and High Quality Tunneling Splittings from Instanton Calculations |
Journal of Chemical Theory and Computation |
| 4646870 |
Töpfer, Kai; Käser, Silvan; Meuwly, Markus |
2022 |
Double proton transfer in hydrated formic acid dimer: Interplay of spatial symmetry and solvent-generated force on reactivity |
Physical Chemistry Chemical Physics |
| 4660788 |
Patra, Sarbani; San Vicente Veliz, Juan Carlos; Koner, Debasish; Bieske, Evan J.; Meuwly, Markus |
2022 |
Photodissociation Dynamics of N⁺₃ |
Journal of Clinical Physics |
| 4661097 |
Veliz, Juan Carlos San Vicente; Arnold, Julian; Bemish, Raymond J.; Meuwly, Markus |
2022 |
Combining Machine Learning and Spectroscopy to Model Reactive Atom + Diatom Collisions |
Journal of Physical Chemistry A |
| 4660798 |
Töpfer, Kai; Pasti, Andrea; Das, Anuradha; Salehi, Seyedeh Maryam; Vazquez-Salazar, Luis Itza; Rohrbach, David; Feurer, Thomas; Hamm, Peter; Meuwly, Markus |
2022 |
Structure, Organization, and Heterogeneity of Water-Containing Deep Eutectic Solvents |
Journal of the American Chemical Society |
| 4660810 |
Vazquez-Salazar, Luis Itza; Boittier, Eric D.; Meuwly, Markus |
2022 |
Uncertainty Quantification for Predictions of Atomistic Neural Networks |
Chemical Science |
| 4660796 |
Meuwly, Markus |
2022 |
Computational Vibrational Spectroscopy |
Chimia |
| 4650900 |
Pokratath, Rohan; Van den Eynden, Dietger; Cooper, Susan Rudd; Mathiesen, Jette Katja; Waser, Valérie; Devereux, Mike; Billinge, Simon J. L.; Meuwly, Markus; Jensen, Kirsten M. Ø.; De Roo, Jonathan |
2022 |
Mechanistic Insight into the Precursor Chemistry of ZrO₂ and HfO₂ Nanocrystals; towards Size-Tunable Syntheses |
JACS Au |
| 4638715 |
Arnold, Julian; San Vicente Veliz, Juan Carlos; Koner, Debasish; Singh, Narendra; Bemish, Raymond J.; Meuwly, Markus |
2021 |
Machine Learning Product State Distributions from Initial Reactant States for a Reactive Atom-Diatom Collision System |
Journal of Chemical Physics |
| 4638691 |
Vazquez-Salazar, Luis Itza; Boittier, Eric D.; Unke, Oliver T.; Meuwly, Markus |
2021 |
Impact of the Characteristics of Quantum Chemical Databases on Machine Learning Predictions of Tautomerization Energies |
Journal of Chemical Theory and Computation |
| 4638685 |
Meuwly, M. |
2021 |
Machine Learning for Chemical Reactions |
Chemical Reviews |
