# Shuxia Tao
**Source**: https://www.tue.nl/en/research/researchers/shuxia-tao
**Parent**: https://www.tue.nl/en/education/bachelor-college/bachelor-applied-physics
Full Professor
# Shuxia Tao
- [Computational Materials Physics group page](https://www.shuxiatao.com/ "Personal site")
- [Full publication list on Google Scholar](https://scholar.google.com/citations?hl=en&user=E-bV6osAAAAJ&view_op=list_works&sortby=pubdate "Personal site")
- [linked-in profile](https://www.linkedin.com/in/shuxia-tao-76956a54/ "Personal site")
- [PURE url](https://research.tue.nl/en/persons/shu-xia-tao/ "Research Portal")
##### Contact
[s.x.tao@tue.nl](#)
[Cascade 3.12](https://www.google.com/maps/dir/?api=1&destination=51.446641,5.493193)
##### Department / Institute
[Applied Physics and Science Education](https://www.tue.nl/en/our-university/departments/applied-physics-and-science-education)
[EIRES](https://www.tue.nl/en/research/research-groups/eires)
##### Group
[Advanced Nanomaterials & Devices](https://www.tue.nl/en/research/research-groups/advanced-nanomaterials-devices)
EIRES Research
[EAISI](https://www.tue.nl/en/research/research-groups/eaisi)
## RESEARCH PROFILE
Shuxia Tao is a Professor of Intelligent Materials Theory in the Advanced Nanomaterials & Devices (AND) group within the Department of Applied Physics at Eindhoven University of Technology (TU/e). Her research explores quantum phenomena in optoelectronic materials, with a particular focus on how engineered symmetry breaking gives rise to emergent electronic, optical, and spin-dependent functionality. By integrating first-principles electronic-structure theory with machine-learning approaches, she develops predictive frameworks that connect atomic-scale structure to macroscopic optoelectronic response. Her work advances the rational design of complex materials and uncovers new physical mechanisms across chiral, low-dimensional, and quantum materials platforms. Through close interaction with experiments, her research contributes to the development of materials concepts relevant to photonic, energy, and emerging quantum technologies.
Visit <https://www.shuxiatao.com/> for details of her research.
> I use computer simulations to uncover how interactions between light, charge, spin, and atomic structure govern the fundamental processes of matter, shaping how energy and information are converted, stored, and transported.
## ACADEMIC BACKGROUND
Shuxia Tao received her master’s degree in Physical Chemistry from Nankai University, China. She obtained her PhD from TU/e in 2011, where her research focused on computational materials design for energy-related applications. From 2013 to 2016, she was a postdoctoral researcher at the NWO physics institute NIKHEF, working on optoelectronic materials for photodetectors. Since 2016, Shuxia Tao has led her own research group, now known as Intelligent Materials Theory, in the Department of Applied Physics at TU/e. She became Assistant Professor in 2018, Associate Professor in 2023, and Full Professor in 2026.
Shuxia has received several prestigious grants and awards, including the CSER Tenure Track Fellowship (2016), NWO START-UP (2019), NWO VIDI (2022), and an ERC Consolidator Grant (2024). She serves as Associate Editor of AI for Science (Institute of Physics Publishing) and is a member of the Editorial Board of Applied Physics Letters. In addition, Shuxia Tao contributes to national research committees in nano-, quantum-, and materials physics and is a member of the NWO Round Table Physics, where she helps shape the strategic research agenda in materials physics, computational science, and artificial intelligence and machine learning (AI/ML).
## Key Publications
- [See all publications](https://research.tue.nl/en/persons/shu-xia-tao//publications/)
- [### Chiral Phonons in 2D Halide Perovskites
Nano Letters
(2025)
Mike Pols,Geert Brocks,Sofía Calero,Shuxia Tao](https://research.tue.nl/nl/publications/8bfe9215-b758-43f6-8cbb-4c1fdfe23560)
- [### Tracing Ion Migration in Halide Perovskites with Machine Learned Force Fields
Journal of Physical Chemistry Letters
(2025)
Viren Tyagi,Mike Pols,Geert Brocks,Shuxia Tao](https://research.tue.nl/nl/publications/65501480-edd8-4c81-9dc1-6e131fdfef60)
- [### Calculating the Circular Dichroism of Chiral Halide Perovskites
Journal of Physical Chemistry Letters
(2023)
Sofia Apergi,Geert Brocks,Shuxia Tao](https://research.tue.nl/nl/publications/341b8029-776b-4c25-8da1-4df121b1b648)
- [### Unified theory for light-induced halide segregation in mixed halide perovskites
Nature Communications
(2021)
Zehua Chen,Geert H.L.A. Brocks,Shuxia Tao,Peter A. Bobbert](https://research.tue.nl/nl/publications/2b85e28b-b458-4683-ada6-a5adc40f0bf5)
- [### Absolute energy level positions in tin- and lead-based halide perovskites
Nature Communications
(2019)
Shuxia Tao,Ines Schmidt,Geert Brocks,Junke Jiang,Ionut Tranca,Klaus Meerholz,Selina Olthof](https://research.tue.nl/nl/publications/122373d7-7404-431d-8a56-62b58f0db258)
## Prizes & Grants
- [2016
Computational Sciences for Energy Research tenure track grant](https://research.tue.nl/en/prizes/d5075165-1f12-4737-889f-f94ea53e048b)
- [2019
NWO START-UP Award](https://research.tue.nl/en/prizes/7b8140e8-ab37-4d0b-b86c-7b08a84f877e)
- [2022
NWO VIDI
Computational Materials Physics](https://research.tue.nl/en/prizes/7ba3a4c8-d243-4b63-ad50-8557bc55333a)
- [2024
NWO-M
Computational Materials Physics](https://research.tue.nl/en/prizes/4c05ec48-99a6-4c0a-96a4-747eedd3c681)
- [2024
ERC Consolidator
Computational Materials Physics](https://research.tue.nl/en/prizes/40dc6fb4-cf26-4493-b53f-e2fa7e0c779c)
[See all prizes & grants](https://research.tue.nl/en/persons/shu-xia-tao//prizes/)
## Current Educational Activities
- [Nanomaterials: Physics and characterization](https://tue.osiris-student.nl/#/onderwijscatalogus/extern/cursus/?cursuscode=3ENX0&collegejaar=2025)
## Ancillary Activities
- editorial task, IOP Publishing