Dr Tahereh Nematiaram

Strathclyde Chancellor's Fellow

Pure and Applied Chemistry

Contact

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. My doctoral research focused on “Nonequilibrium Modelling of Solar Cells: Quantum Effects at the Nanoscale Level.” During my PhD, I also joined the group of Prof. Matthias Ernzerhof at the University of Montréal as a Visiting Scholar, where I was introduced to quantum chemistry through one of the leading scientists in the field.

Driven by my interest in cross-disciplinary and multi-methodology research, I then joined the group of Prof. Alessandro Troisi at the Materials Innovation Factory, University of Liverpool, as a Postdoctoral Research Associate, working on “Computer-Aided Materials Discovery.” During my postdoctoral career, I was the first to demonstrate the feasibility of high-throughput virtual screening by combining chemical databases with advanced physical models. This work became an important foundation for the DiaDEM Materials Discovery Platform (https://www.diadem-project.eu/).

A defining milestone in my journey was being recognised through the L’Oréal–UNESCO For Women in Science Rising Talents Award, which celebrates women researchers whose work advances scientific knowledge and contributes to addressing global challenges. For me, this recognition was a powerful encouragement to keep pushing boundaries and to continue developing research that connects fundamental science with real-world impact.

In December 2022, I started a new chapter at the University of Strathclyde as a Chancellor’s Fellow in Materials and Computational Chemistry, within the Department of Pure and Applied Chemistry.

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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 materials 
  • Charge transport properties of molecular semiconductors 
  • Optical properties of organic molecules and solids 
  • Crystal structure prediction of rigid conjugated molecules 

 

Professional Activities

Doctoral School Multidisciplinary Symposium (DSMS) 2025
Speaker
28/8/2025
AIchemy Annual Conference
Participant
3/2025
AIchemy 2025 – Best Poster Award Referee
Examiner
3/2025
PhD Examiner: Jonathan Conn
Examiner
3/2025
Strategic Themes: EPSRC Critical Mass Programmes to Drive a Sustainable Future
Participant
30/1/2025
How To Use New Semiconductor Data in the CSD for Research and Design
Speaker
21/11/2024

More professional activities

Projects

Accelerating Crystal Structure Prediction for Organic Semiconductors through Motif-Constrained Search
Nematiaram, Tahereh (Principal Investigator)
30-Jan-2025 - 29-Jan-2026
BenchmarkSet-500: High-Accuracy Excited-State Reference Data for Organic Semiconductors (PSDI)
Nematiaram, Tahereh (Principal Investigator)
01-Jan-2025 - 30-Jan-2026
Industrial Case Account - University of Strathclyde 2023 | Myasnikov, Nikita
Tuttle, Tell (Principal Investigator) Nematiaram, Tahereh (Co-investigator) Myasnikov, Nikita (Research Co-investigator)
01-Jan-2024 - 01-Jan-2028
Functional Materials Discovery Using Artificial Intelligence
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
AI for Chemistry: AIchemy
Nematiaram, Tahereh (Co-investigator)
01-Jan-2024 - 01-Jan-2029
Data Enrichment of Semi-Conductor Structures for Physical Property Prediction
Nematiaram, Tahereh (Principal Investigator)
01-Jan-2023 - 29-Jan-2024

More projects

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Contact

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

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