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Doctor Tahereh Nematiaram

Strathclyde Chancellor's Fellow

Pure and Applied Chemistry

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Personal statement

I obtained my PhD in Nanophysics and Photonics from the University of Grenoble Alpes under the supervision of Prof. Didier Mayou and Prof. Asghar Asgari working on "Nonequilibrium Modelling of Solar Cells: Quantum Effects at the Nanoscale Level". During my PhD, I joined the group of Prof. Matthias Ernzerhof at the University of ²Ñ´Ç²Ô³Ù°ùé²¹±ôÌýas a Visiting Scholar and got exposed to Quantum Chemistry through one of the leading scientists in the field.

To pursue my interest in cross-disciplinary and multi-methodology research, I then joined the group of Prof. Alessandro Troisi, Materials Innovation Factory - University of Liverpool, as a Postdoctoral Research Associate to work on "Computer Aided Materials Discovery". In my postdoctoral career, I was the first to demonstrate the ability to perform high-throughput virtual screening by combining chemical databases and advanced physical models. This initiative was of such importance that my work now constitutes the foundation ground of the DIADEM Materials Discovery Platform ().

In December 2022, I further advanced my academic journey by accepting the position of Chancellor's Fellow in the Materials & Computational Chemistry division within the Department of Pure and Applied Chemistry at the ÌÇÐÄÊÓÆµ.

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Prize And Awards

Recipient
19/6/2025
Recipient
2024
Recipient
2022
Recipient
2022
Recipient
2021
Recipient
2014

Qualifications

Certified Mental Health First Aider (MHFA England)

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Publications

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Digital Discovery Vol 5, pp. 1037-1067 (2026)
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Journal of Materials Chemistry. C (2026)
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RSC Theoretical Chemistry Graduate Student Meeting 2025 (2025)
Rivera Blair Lucas,
Journal of Materials Chemistry C Vol 13, pp. 17769-17779 (2025)
, ,
Doctoral School Multidisciplinary Symposium (DSMS) 2025 (2025)
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Scottish Computational Chemistry Symposium 2025 (2025)

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Research Interests

I am a theoretician specialising in the development of methods that combine novel physical models with computational screening to identify advanced materials with targeted properties, determine the realistic physical limits to such properties, and drive practical materials (inverse) design strategies. Currently, my research is focused on:

  • Computational discovery and design of functional molecules and materialsÌý
  • Charge transport properties of molecular semiconductorsÌý
  • Optical properties of organic molecules and solidsÌý
  • Crystal structure prediction of rigid conjugated moleculesÌý

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Professional Activities

Speaker
28/8/2025
Participant
3/2025
Examiner
3/2025
Examiner
3/2025
Participant
30/1/2025
Speaker
21/11/2024

Projects

Nematiaram, Tahereh (Principal Investigator)
30-Jan-2025 - 29-Jan-2026
Nematiaram, Tahereh (Principal Investigator)
01-Jan-2025 - 30-Jan-2026
Tuttle, Tell (Principal Investigator) Nematiaram, Tahereh (Co-investigator) Myasnikov, Nikita (Research Co-investigator)
01-Jan-2024 - 01-Jan-2028
Zollner, Malin (Researcher) Nematiaram, Tahereh (Principal Investigator) Moshfeghi, Yashar (Principal Investigator)
A research project aimed at discovering new functional materials, with a focus on small-molecule organic semiconductors, through machine learning and high-throughput screening to advance sustainable and innovative technologies—supporting applications such as organic photovoltaics for clean energy and medical biosensors for next-generation diagnostics.
01-Jan-2024 - 30-Jan-2027
Nematiaram, Tahereh (Co-investigator)
01-Jan-2024 - 01-Jan-2029
Nematiaram, Tahereh (Principal Investigator)
01-Jan-2023 - 29-Jan-2024

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Contact

Doctor Tahereh Nematiaram
Strathclyde Chancellor's Fellow
Pure and Applied Chemistry

Email: tahereh.nematiaram@strath.ac.uk
Tel: 548 4189