David M Wilkins (D M Wilkins)

ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 20

Top Venues

The journal of physical chemistry letters

Journal of chemical information and modeling

The Journal of chemical physics

Proceedings of the National Academy of Sciences of the United States of America

Queen's University Belfast

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Queen's University Belfast May 01 2020

United Kingdom

Illuminate Fellow :: School of Maths and Physics

École Polytechnique Fédérale de Lausanne Apr 01 2016 - Apr 30 2020

Switzerland

Collaboreteur Scientifique :: Materials Science

Publications

Arnab Jana, Sam Shepherd, Yair Litman, David M Wilkins
Learning Electronic Polarizations in Aqueous Systems. Journal of chemical information and modeling 64 (11) (2024)
Arnab Jana, Sam Shepherd, Yair Litman, David M Wilkins
Learning Electronic Polarizations in Aqueous Systems. Journal of chemical information and modeling (2024)
Arnab Jana, Sam Shepherd, Yair Litman, David M Wilkins
Learning Electronic Polarizations in Aqueous Systems. Journal of chemical information and modeling 64 (11) (2024)
Arnab Jana, Sam Shepherd, Yair Litman, David M Wilkins
Learning Electronic Polarizations in Aqueous Systems. Journal of chemical information and modeling 64 (11) (2024)
Kazuki Inoue, Yair Litman, David M Wilkins, Yuki Nagata, Masanari Okuno
Is Unified Understanding of Vibrational Coupling of Water Possible? Hyper-Raman Measurement and Machine Learning Spectra. The journal of physical chemistry letters (2023)
Pawan K J Kurapothula, Sam Shepherd, David M Wilkins
Competing Nuclear Quantum Effects and Hydrogen-Bond Jumps in Hydrated Kaolinite. The journal of physical chemistry letters 14 (6) (2023)
Sam Shepherd, Gareth A Tribello, David M Wilkins
A fully quantum-mechanical treatment for kaolinite. The Journal of chemical physics 158 (20) (2023)
Yair Litman, Jinggang Lan, Yuki Nagata, David M Wilkins
Fully First-Principles Surface Spectroscopy with Machine Learning. The journal of physical chemistry letters (2023)
Pawan K J Kurapothula, Sam Shepherd, David M Wilkins
Competing Nuclear Quantum Effects and Hydrogen-Bond Jumps in Hydrated Kaolinite. The journal of physical chemistry letters 14 (6) (2023)
Pawan K J Kurapothula, Sam Shepherd, David M Wilkins
Competing Nuclear Quantum Effects and Hydrogen-Bond Jumps in Hydrated Kaolinite. The journal of physical chemistry letters (2023)
Pawan K J Kurapothula, Sam Shepherd, David M Wilkins
Competing Nuclear Quantum Effects and Hydrogen-Bond Jumps in Hydrated Kaolinite. The journal of physical chemistry letters 14 (6) (2023)
Tereza Schönfeldová, Nathan Dupertuis, Yixing Chen, Narjes Ansari, Emiliano Poli, David M Wilkins, Ali A Hassanali, Sylvie Roke
Charge Gradients around Dendritic Voids Cause Nanoscale Inhomogeneities in Liquid Water. The journal of physical chemistry letters 13 (32) (2022)
Sam Shepherd, Jinggang Lan, David M Wilkins, Venkat Kapil
Efficient Quantum Vibrational Spectroscopy of Water with High-Order Path Integrals: From Bulk to Interfaces. The journal of physical chemistry letters 12 (37) (2021)
Volker L Deringer, Albert P Bartók, Noam Bernstein, David M Wilkins, Michele Ceriotti, Gábor Csányi
Gaussian Process Regression for Materials and Molecules. Chemical reviews 121 (16) (2021)
Yang Yang, Ka Un Lao, David M Wilkins, Andrea Grisafi, Michele Ceriotti, Robert A DiStasio
Quantum mechanical static dipole polarizabilities in the QM7b and AlphaML showcase databases. Scientific data 6 (1) (2019)
David M Wilkins, Andrea Grisafi, Yang Yang, Ka Un Lao, Robert A DiStasio, Michele Ceriotti
Accurate molecular polarizabilities with coupled cluster theory and machine learning. Proceedings of the National Academy of Sciences of the United States of America 116 (9) (2019)
Gabriele Tocci, Chungwen Liang, David M Wilkins, Sylvie Roke, Michele Ceriotti
Correction to "Second-Harmonic Scattering as a Probe of Structural Correlations in Liquids". The journal of physical chemistry letters 10 (3) (2019)
Zhi Luo, Anna Murello, David M Wilkins, Filip Kovacik, Joachim Kohlbrecher, Aurel Radulescu, Halil Ibrahim Okur, Quy K Ong, Sylvie Roke, Michele Ceriotti, Francesco Stellacci
Determination and evaluation of the nonadditivity in wetting of molecularly heterogeneous surfaces. Proceedings of the National Academy of Sciences of the United States of America 116 (51) (2019)
Mahdi Hijazi, David M Wilkins, Michele Ceriotti
Fast-forward Langevin dynamics with momentum flips. The Journal of chemical physics 148 (18) (2018)
Y Chen, H I Okur, Nathan Dupertuis, J Dedic, David M Wilkins, Michele Ceriotti, Sylvie Roke
Comment on "Water-water correlations in electrolyte solutions probed by hyper-Rayleigh scattering" [J. Chem. Phys. 147, 214505 (2017)]. The Journal of chemical physics 149 (16) (2018)

David M Wilkins.css-eqlu8i{font-size:small;padding-left:4px;} (D M Wilkins)

Publication Activity (10 Years)

Top Topics

Top Venues

David M Wilkins (D M Wilkins)