David M Wilkins
Queen's University Belfast
H-index: 19
Europe-United Kingdom
Top articles of David M Wilkins
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Competing Nuclear Quantum Effects and Hydrogen-Bond Jumps in Hydrated Kaolinite | The Journal of Physical Chemistry Letters | Pawan KJ Kurapothula Sam Shepherd David M Wilkins | 2023/2/6 |
Fully first-principles surface spectroscopy with machine learning | The Journal of Physical Chemistry Letters | Yair Litman Jinggang Lan Yuki Nagata David M Wilkins | 2023/9/6 |
A fully quantum-mechanical treatment for kaolinite | The Journal of Chemical Physics | Sam Shepherd Gareth A Tribello David M Wilkins | 2023/5/28 |
Is unified understanding of vibrational coupling of water possible? hyper-raman measurement and machine learning spectra | The Journal of Physical Chemistry Letters | Kazuki Inoue Yair Litman David M Wilkins Yuki Nagata Masanari Okuno | 2023/3/22 |
Charge gradients around dendritic voids cause nanoscale inhomogeneities in liquid water | The Journal of Physical Chemistry Letters | Tereza Schonfeldova Nathan Dupertuis Yixing Chen Narjes Ansari Emiliano Poli | 2022/8/5 |
Hydrogen-bonding and nuclear quantum effects in clays | The Journal of Chemical Physics | Pawan KJ Kurapothula Sam Shepherd David M Wilkins | 2022/2/28 |
Gaussian process regression for materials and molecules | Volker L Deringer Albert P Bartók Noam Bernstein David M Wilkins Michele Ceriotti | 2021/8/16 | |
Accurate Molecular Polarizabilities with Coupled Cluster Theory and Machine Learning | Proceedings of the National Academy of Sciences | David M Wilkins Andrea Grisafi Yang Yang Ka Un Lao Robert A DiStasio Jr | 2019/2/26 |
Machine learning the molecular dipole moment with atomic partial charges and atomic dipoles | APS March Meeting Abstracts | Max Veit David Wilkins Yang Yang Robert Distasio Michele Ceriotti | 2021 |
Quantum dynamics of water from Møller-Plesset perturbation theory via a neural network potential | Jinggang Lan David Wilkins Vladimir Rybkin Marcella Iannuzzi Jürg Hutter | 2021/12/30 | |
Efficient quantum vibrational spectroscopy of water with high-order path integrals: From bulk to interfaces | The Journal of Physical Chemistry Letters | Sam Shepherd Jinggang Lan David M Wilkins Venkat Kapil | 2021/9/15 |
Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles | The Journal of Chemical Physics | Max Veit David M Wilkins Yang Yang Robert A DiStasio Jr Michele Ceriotti | 2020/6/27 |
Inexpensive modeling of quantum dynamics using path integral generalized Langevin equation thermostats | The Journal of chemical physics | Venkat Kapil David M Wilkins Jinggang Lan Michele Ceriotti | 2020/3/31 |
