Hello! I am Patrick, a chemical physicist educated at the University of Edinburgh. I am now working towards my DPhil in physical and theoretical chemistry in probing electron correlation effects using ultrafast X-ray scattering.
During my undergrad, I worked at Diamond Light Source, UK’s national synchrotron facility, where I performed research on soft X-ray optics and ray-tracing simulations. My master’s thesis focussed on developing new methodologies for simulating soft X-ray beamlines with plane grating monochromators. A copy can be downloaded here.
I am currently working on developing the theory required for probing electron correlation effects in atoms and molecules using scattering experiments done at X-ray free electron lasers. This would hopefully shed light on the fundamental electron dynamics as well as improve our current quantum chemistry methods.
I teach the Quantum Chemistry supplementary subject at the Department of Chemistry, University of Oxford.
Publications
2025
Wang, Patrick Yuheng; Silva, Murilo Bazan Da; Held, Georg; Wang, Hongchang; Sawhney, Kawal; Walters, Andrew C.
An Automated and Robust Method for Modelling X-ray Beamlines with Plane Grating Monochromators Journal Article
In: Journal of Synchrotron Radiation, vol. 32, no. 4, 2025, ISSN: 1600-5775.
@article{wangAutomatedRobustMethod2025,
title = {An Automated and Robust Method for Modelling X-ray Beamlines with Plane Grating Monochromators},
author = {Patrick Yuheng Wang and Murilo Bazan Da Silva and Georg Held and Hongchang Wang and Kawal Sawhney and Andrew C. Walters},
doi = {10.1107/S1600577525003200},
issn = {1600-5775},
year = {2025},
date = {2025-07-01},
urldate = {2025-07-01},
journal = {Journal of Synchrotron Radiation},
volume = {32},
number = {4},
abstract = {The plane grating monochromator (PGM) is an optical instrument used in the majority of soft X-ray beamlines. Despite its ubiquity, the PGM efficiency can easily be overestimated, because the geometry of many modern PGMs can lead to unexpected blocking of the beam. We have developed a new workflow in Python for simulating PGMs, thus extending the capabilities of SHADOW3 , a well established ray tracing software tool. We have used our method to simulate the flux on branch C of the Versatile Soft X-ray (VerSoX) beamline B07 at Diamond Light Source. The simulation results demonstrate qualitative agreement with the experimental measurements, confirming the robustness of the proposed methodology.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The plane grating monochromator (PGM) is an optical instrument used in the majority of soft X-ray beamlines. Despite its ubiquity, the PGM efficiency can easily be overestimated, because the geometry of many modern PGMs can lead to unexpected blocking of the beam. We have developed a new workflow in Python for simulating PGMs, thus extending the capabilities of SHADOW3 , a well established ray tracing software tool. We have used our method to simulate the flux on branch C of the Versatile Soft X-ray (VerSoX) beamline B07 at Diamond Light Source. The simulation results demonstrate qualitative agreement with the experimental measurements, confirming the robustness of the proposed methodology.
Wang, Patrick Yuheng; Silva, Murilo Bazan Da; Hand, Matthew; Wang, Hongchang; Chang, Peter; Beilsten-Edmands, Victoria; Kim, Timur K.; Lee, Tien-Lin; Sawhney, Kawal; Walters, Andrew C.
PGMweb : An Online Tool for Visualizing the X-ray Beam Path through Plane Grating Monochromators Journal Article
In: Journal of Synchrotron Radiation, vol. 32, no. 1, pp. 261–268, 2025, ISSN: 1600-5775.
@article{wangPGMwebOnlineTool2025,
title = {PGMweb : An Online Tool for Visualizing the X-ray Beam Path through Plane Grating Monochromators},
author = {Patrick Yuheng Wang and Murilo Bazan Da Silva and Matthew Hand and Hongchang Wang and Peter Chang and Victoria Beilsten-Edmands and Timur K. Kim and Tien-Lin Lee and Kawal Sawhney and Andrew C. Walters},
doi = {10.1107/S1600577524011603},
issn = {1600-5775},
year = {2025},
date = {2025-01-01},
urldate = {2025-01-01},
journal = {Journal of Synchrotron Radiation},
volume = {32},
number = {1},
pages = {261–268},
abstract = {We present here a newly developed software tool (called PGMweb ) for computing and simulating the X-ray beam path through a plane grating monochromator (PGM), a key component in soft X-ray beamlines at modern synchrotron and free-electron laser facilities. A historical overview of the development of PGMs is presented, with special attention dedicated to the collimated PGM optical scheme found at several X-ray facilities worldwide. The analytical expressions that fully describe the geometry of a PGM are derived and have been implemented as functions in a Python library ( pyplanemono ). PGMweb is distributed as a web-based application that can be run in any modern browser without installation, making its use very straightforward for X-ray beamline designers and beamline scientists alike.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
We present here a newly developed software tool (called PGMweb ) for computing and simulating the X-ray beam path through a plane grating monochromator (PGM), a key component in soft X-ray beamlines at modern synchrotron and free-electron laser facilities. A historical overview of the development of PGMs is presented, with special attention dedicated to the collimated PGM optical scheme found at several X-ray facilities worldwide. The analytical expressions that fully describe the geometry of a PGM are derived and have been implemented as functions in a Python library ( pyplanemono ). PGMweb is distributed as a web-based application that can be run in any modern browser without installation, making its use very straightforward for X-ray beamline designers and beamline scientists alike.
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