Peter J Knowles

Publication Activity (10 Years)

Years Active: 2018-2022
Publications (10 Years): 6

Top Topics

Cystic Fibrosis

Electron Transfer

Density Functional Theory

Top Venues

The Journal of chemical physics

The journal of physical chemistry. A

Journal of chemical theory and computation

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

Publications

Andreas Heßelmann, Hans-Joachim Werner, Peter J Knowles
Thermochemical evaluation of adaptive and fixed density functional theory quadrature schemes. The Journal of chemical physics 157 (23) (2022)
Iakov Polyak, Gareth W Richings, Scott Habershon, Peter J Knowles
Direct quantum dynamics using variational Gaussian wavepackets and Gaussian process regression. The Journal of chemical physics 150 (4) (2019)
Iakov Polyak, Lewis Hutton, Rachel Crespo-Otero, Mario Barbatti, Peter J Knowles
Ultrafast Photoinduced Dynamics of 1,3-Cyclohexadiene Using XMS-CASPT2 Surface Hopping. Journal of chemical theory and computation 15 (7) (2019)
Nathan A I Watson, Joshua A Black, Thomas M Stonelake, Peter J Knowles, Joseph M Beames
An Extended Computational Study of Criegee Intermediate-Alcohol Reactions. The journal of physical chemistry. A 123 (1) (2018)
Joshua A Black, Peter J Knowles
Quasi-variational coupled-cluster theory: Performance of perturbative treatments of connected triple excitations. The Journal of chemical physics 148 (19) (2018)
So Hirata, Alexander E Doran, Peter J Knowles, J V Ortiz
One-particle many-body Green's function theory: Algebraic recursive definitions, linked-diagram theorem, irreducible-diagram theorem, and general-order algorithms. The Journal of chemical physics 147 (4) (2018)