David Wilkins

Dr

Accepting PhD Students

20132020

Research activity per year

If you made any changes in Pure these will be visible here soon.

Personal profile

Research Interests

There are two interlinked facets to my current research:

 

  • Understanding the structure, dynamics and spectroscopic properties of water and aqueous systems (particularly interfaces) using atomistic simulations. In particular, I use methods based on the imaginary-time Feynman path integral picture to account for the effects of quantum-mechanics on the motion of the nuclei.
  • The development and application of supervised machine-learning methods, particularly symmetry-adapted methods that allow the efficient and accurate prediction of molecular and materials properties transforming like a tensor (e.g. dipole moment, polarizability ...). See alphaml.org for an example.

Other

External links:

  • My Google Scholar profile
  • AlphaML Web App -- predict molecular polarizabilities with better-than-density functional theory accuracy
  • TENSOAP -- python code for symmetry-adapted regression of tensors

Fingerprint

Dive into the research topics where David Wilkins is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
  • 6 Similar Profiles

Network

Recent external collaboration on country level. Dive into details by clicking on the dots or
If you made any changes in Pure these will be visible here soon.