Dr Tahereh Nematiaram

Strathclyde Chancellor's Fellow

Pure and Applied Chemistry

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 Montréal as 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 (https://www.diadem-project.eu/).

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 University of Strathclyde.

Expertise

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Area of Expertise

Developing Physical Models
Theoretical and Computational Chemistry
High-Throughput Virtual Screening
Data-Driven Materials Discovery
Materials Design Strategies

Prize And Awards

Fellow of The Higher Education Academy (FHEA): Recipient; 2024
L'Oreal-UNESCO for Women in Science Rising Talents Award (Highly Commended Candidate): Recipient; 2022
Best Poster Prize - The Leverhulme Research Centre for Functional Materials Design Symposium: Recipient; 2022
Best Talk Prize - TYC IWOM2021: Recipient; 2021
PhD Scholarship: Recipient; 2014

More prizes and awards

Qualifications

Certified Mental Health First Aider (MHFA England)

Publications

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Publications

Accelerating the discovery of high-mobility molecular semiconductors : a machine learning approach: Nematiaram Tahereh, Lamprou Zenon, Moshfeghi Yashar; Chemical Communications Vol 61, pp. 3676-3679 (2025); https://doi.org/10.1039/D4CC04200J
Discovering structure-property correlations : general discussion: Anker Andy S, Aspuru-Guzik Alán, Ben Mahmoud Chiheb, Bennett Sophie, Briling Ksenia R, Changiarath Arya, Chong Sanggyu, Collins Christopher M, Cooper Andrew I, Crusius Daniel, Darmawan Kevion K, Das Basita, David Nicholas, Day Graeme M, Deringer Volker L, Duarte Fernanda, Eardley-Brunt Annabel, Evans Matthew L, Evans Rob, Fairlamb Ian, Franklin Barnabas A, Frey Jeremy, Ganose Alex M, Goulding Mark, Hafizi Roohollah, Hakkennes Matthijs, Hickey Niamh, James Gillian, Jelfs Kim E, Kalikadien Adarsh V, Kapil Venkat, Koczor-Benda Zsuzsanna, Krammer Ferdinand, Kulik Heather J, Kumar Vishank, Kuttner Christian, Lam Erwin, Lou Yuchen, Mante Eltjo, Martin Jennie, Mroz Austin M, Nematiaram Tahereh, Pare Charles W P, Patra Sarbani, Proudfoot James, Ruscic Branko, Ryder Matthew R, Sakaushi Ken, Saßmannshausen Jörg, Savoie Brett M, Schneider Nadine, Schwaller Philippe, Skjelstad Bastian Bjerkem, Sun Wenhao, Szczypiński Filip T, Torrisi Steven, Ueltzen Katharina, Vishnoi Shubham, Walsh Aron, Wang Xinwei, Wilson Chloe, Wu Ruiqi, Zeitler Jakob; Faraday Discussions Vol 256, pp. 373-412 (2025); https://doi.org/10.1039/d4fd90062f
Discovering chemical structure : general discussion: Aspuru-Guzik Alán, Bechtel Tim, Bernales Varinia, Biggin Philip C, Bigi Filippo, Borges Itamar, Briling Ksenia R, Cheung Joshua, Darmawan Kevion K, David Nicholas, Day Graeme M, Deringer Volker L, Draxl Claudia, Dyer Matthew, Eardley-Brunt Annabel, Evans Rob, Fairlamb Ian, Franklin Barnabas A, George Janine, Goulding Mark, Grundy Joanna, Hafizi Roohollah, Hakkennes Matthijs, Hickey Niamh, James Gillian, Juraskova Veronika, Kalikadien Adarsh V, Kapil Venkat, Kulik Heather J, Kumar Vishank, Kuttner Christian, Lederbauer Magdalena, Lou Yuchen, Mante Eltjo, Marsh Liam, Martin Jennie, Middleton Clelia, Nematiaram Tahereh, Pare Charles WP, Pasca Bianca, Pickard Chris J, Ruscic Branko, Ryder Matthew R, Savoie Brett M, Sun Wenhao, Szczypiński Filip T, Taniguchi Takuya, Torrisi Steven, Vishnoi Shubham, Walsh Aron, Wang Shirui; Faraday Discussions Vol 256, pp. 177-220 (2024); https://doi.org/10.1039/d4fd90061h
First-principle quantum Monte-Carlo study of charge carrier mobility in organic molecular semiconductors: Ostmeyer Johann, Nematiaram Tahereh, Troisi Alessandro, Buividovich Pavel; Physical Review Applied Vol 22 (2024); https://doi.org/10.1103/PhysRevApplied.22.L031004
The conductance isotope effect in oligophenylene imine molecular wires depends on the number and spacing of 13C-labeled phenylene rings: Colin-Molina Abraham, Nematiaram Tahereh, Man Hong Cheung Andy, Troisi Alessandro, Frisbie C Daniel; ACS Nano Vol 18, pp. 7444-7454 (2024); https://doi.org/10.1021/acsnano.3c11327
Quantitative hole mobility simulation and validation in substituted acenes: Vong Daniel, Nematiaram Tahereh, Dettmann Makena A,, Murrey Tucker L, Cavalcante Lucas S R, Gurses Sadi M, Radhakrishnan Dhanya, Daemen Luke L, Anthony John E, Koski Kristie J, Kronawitter Coleman X, Troisi Alessandro, Moulé Adam J; Journal of Physical Chemistry Letters Vol 13, pp. 5530–5537 (2022); https://doi.org/10.1021/acs.jpclett.2c00898

More publications

Research

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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

PhD Examiner: Jonathan Conn: Examiner; 3/2025
AIchemy Annual Conference: Participant; 3/2025
AIchemy 2025 – Best Poster Award Referee: 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
CCP5 AGM: Speaker; 4/9/2024

More professional activities

Projects

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
AI for Chemistry: AIchemy: Nematiaram, Tahereh (Co-investigator); 01-Jan-2024 - 01-Jan-2029
Industrial Case Account - University of Strathclyde 2023 | Smith, Melissa: Tuttle, Tell (Principal Investigator) Nematiaram, Tahereh (Co-investigator) Smith, Melissa (Research Co-investigator); 01-Jan-2024 - 01-Jan-2028
Data Enrichment of Semi-Conductor Structures for Physical Property Prediction: Nematiaram, Tahereh (Principal Investigator); 01-Jan-2023 - 29-Jan-2024