Hayley Weir

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 9

Top Topics

Density Functional Theory

Machine Learning

Molecular Dynamics

Top Venues

Scientific data

The journal of physical chemistry letters

The journal of physical chemistry. B

Chemical science

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

Publications

Colin A Grambow, Hayley Weir, Christian N Cunningham, Tommaso Biancalani, Kangway V Chuang
CREMP: Conformer-rotamer ensembles of macrocyclic peptides for machine learning. Scientific data 11 (1) (2024)
Colin A Grambow, Hayley Weir, Christian N Cunningham, Tommaso Biancalani, Kangway V Chuang
CREMP: Conformer-rotamer ensembles of macrocyclic peptides for machine learning. Scientific data 11 (1) (2024)
Sukolsak Sakshuwong, Hayley Weir, Umberto Raucci, Todd J Martinez
Bringing chemical structures to life with augmented reality, machine learning, and quantum chemistry. The Journal of chemical physics 156 (20) (2022)
Hayley Weir, Keiran C Thompson, Amelia Woodward, Benjamin Choi, Augustin Braun, Todd J Martinez
ChemPix: automated recognition of hand-drawn hydrocarbon structures using deep learning. Chemical science 12 (31) (2021)
Umberto Raucci, Alessio Valentini, Elisa Pieri, Hayley Weir, Stefan Seritan, Todd J Martinez
Voice-controlled quantum chemistry. Nature computational science 1 (1) (2021)
Monika Williams, Ruaridh J G Forbes, Hayley Weir, Kévin Veyrinas, Ryan J MacDonell, Andrey E Boguslavskiy, Michael S Schuurman, Albert Stolow, Todd J Martinez
Unmasking the cis-Stilbene Phantom State via Vacuum Ultraviolet Time-Resolved Photoelectron Spectroscopy and Ab Initio Multiple Spawning. The journal of physical chemistry letters 12 (27) (2021)
Jana L van den Berg, Kallie Ilene Neumann, John A Harrison, Hayley Weir, Edward G Hohenstein, Todd J Martinez, Richard N Zare
Strong, Nonresonant Radiation Enhances Cis-Trans Photoisomerization of Stilbene in Solution. The journal of physical chemistry. A 124 (29) (2020)
Hayley Weir, Monika Williams, Robert M Parrish, Edward G Hohenstein, Todd J Martinez
Nonadiabatic Dynamics of Photoexcited cis-Stilbene Using Ab Initio Multiple Spawning. The journal of physical chemistry. B 124 (26) (2020)
B Scott Fales, Ethan R Curtis, K Grace Johnson, Dean Lahana, Stefan Seritan, Yuanheng Wang, Hayley Weir, Todd J Martinez, Edward G Hohenstein
Performance of Coupled-Cluster Singles and Doubles on Modern Stream Processing Architectures. Journal of chemical theory and computation 16 (7) (2020)