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Education and qualifications (2)

Stanford University: Stanford, California, US

2017-08-10 to present | PhD (Chemistry )
Education
Source: Self-asserted source
Hayley Weir

Imperial College London: London, London, GB

2013-08-28 to 2017-06-10 | MSci Chemistry with Molecular Physics (Chemistry )
Education
Source: Self-asserted source
Hayley Weir

Works (18)

CREMP: Conformer-rotamer ensembles of macrocyclic peptides for machine learning

Scientific Data
2024-08-09 | Journal article
DOI: 10.1038/s41597-024-03698-y
Contributors: Colin A. Grambow; Hayley Weir; Christian N. Cunningham; Tommaso Biancalani; Kangway V. Chuang
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Crossref

Bringing chemical structures to life with augmented reality, machine learning, and quantum chemistry

The Journal of Chemical Physics
2022-05-28 | Journal article
DOI: 10.1063/5.0090482
Contributors: Sukolsak Sakshuwong; Hayley Weir; Umberto Raucci; Todd J. Martínez
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Crossref

Bringing Chemical Structures to Life with Augmented Reality, Machine Learning and Quantum Chemistry

2022-01-06 | Preprint
DOI: 10.21203/rs.3.rs-1155928/v1
Contributors: Sukolsak Sakshuwong; Hayley Weir; Umberto Raucci; Todd Martinez
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Crossref

ChemPix: automated recognition of hand-drawn hydrocarbon structures using deep learning

Chemical Science
2021 | Journal article
DOI: 10.1039/D1SC02957F
Contributors: Hayley Weir; Keiran Thompson; Amelia Woodward; Benjamin Choi; Augustin Braun; Todd J. Martínez
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Crossref

Unmasking the cis-Stilbene Phantom State via Vacuum Ultraviolet Time-Resolved Photoelectron Spectroscopy and Ab Initio Multiple Spawning

The Journal of Physical Chemistry Letters
2021-07-15 | Journal article
DOI: 10.1021/acs.jpclett.1c01227
Contributors: Monika Williams; Ruaridh Forbes; Hayley Weir; Kévin Veyrinas; Ryan J. MacDonell; Andrey E. Boguslavskiy; Michael S. Schuurman; Albert Stolow; Todd J. Martinez
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Crossref

ChemPix: Automated Recognition of Hand-drawn Hydrocarbon Structures Using Deep Learning

2021-03-08 | Other
DOI: 10.26434/chemrxiv.14156957.v1
Contributors: Hayley Weir; Keiran Thompson; Ben Choi; Amelia Woodward; Augustin Braun; Todd J. Martínez
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Crossref

Voice-controlled quantum chemistry

Nature Computational Science
2021-01-14 | Journal article
DOI: 10.1038/s43588-020-00012-9
Contributors: Umberto Raucci; Alessio Valentini; Elisa Pieri; Hayley Weir; Stefan Seritan; Todd J. Martínez
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Crossref

Investigation of External Quantum Efficiency Roll-Off in OLEDs Using the Mean Field Steady State Kinetic Model

The Journal of Physical Chemistry C
2020 | Journal article
Source: Self-asserted source
Hayley Weir

Nonadiabatic dynamics of photoexcited cis-Stilbene using ab initio multiple spawning

The Journal of Physical Chemistry B
2020 | Journal article
Source: Self-asserted source
Hayley Weir

Performance of Coupled-Cluster Singles and Doubles on Modern Stream Processing Architectures

Journal of Chemical Theory and Computation
2020 | Journal article
Source: Self-asserted source
Hayley Weir

Strong, Nonresonant Radiation Enhances Cis--Trans Photoisomerization of Stilbene in Solution

The Journal of Physical Chemistry A
2020 | Journal article
Source: Self-asserted source
Hayley Weir

ChemVox: Voice-Controlled Quantum Chemistry

2020-10 | Journal article
DOI: 10.26434/chemrxiv.13054154.v1
Source: Self-asserted source
Hayley Weir

Strong, Nonresonant Radiation Enhances Cis–Trans Photoisomerization of Stilbene in Solution

The Journal of Physical Chemistry A
2020-07-23 | Journal article
DOI: 10.1021/acs.jpca.0c02732
Contributors: Jana L. van den Berg; Kallie Ilene Neumann; John A. Harrison; Hayley Weir; Edward G. Hohenstein; Todd J. Martinez; Richard N. Zare
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Crossref

Performance of Coupled-Cluster Singles and Doubles on Modern Stream Processing Architectures

Journal of Chemical Theory and Computation
2020-07-14 | Journal article
DOI: 10.1021/acs.jctc.0c00336
Contributors: B. Scott Fales; Ethan R. Curtis; K. Grace Johnson; Dean Lahana; Stefan Seritan; Yuanheng Wang; Hayley Weir; Todd J. Martínez; Edward G. Hohenstein
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Crossref

Investigation of External Quantum Efficiency Roll-Off in OLEDs Using the Mean-Field Steady-State Kinetic Model

The Journal of Physical Chemistry C
2020-07-09 | Journal article
DOI: 10.1021/acs.jpcc.0c01863
Contributors: Alexandra R. McIsaac; Valerie Vaissier Welborn; Markus Einzinger; Nadav Geva; Hayley Weir; Marc A. Baldo; Troy Van Voorhis
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Crossref

Nonadiabatic Dynamics of Photoexcited cis-Stilbene Using Ab Initio Multiple Spawning

The Journal of Physical Chemistry B
2020-07-02 | Journal article
DOI: 10.1021/acs.jpcb.0c03344
Contributors: Hayley Weir; Monika Williams; Robert M. Parrish; Edward G. Hohenstein; Todd J. Martínez
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Crossref

Optical response of electro-tuneable 3D superstructures of plasmonic nanoparticles self-assembling on transparent columnar electrodes

Optics express
2019 | Journal article
Source: Self-asserted source
Hayley Weir

Towards electrotuneable nanoplasmonic Fabry--Perot interferometer

Scientific reports
2018 | Journal article
Source: Self-asserted source
Hayley Weir
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