
Dr Tahereh Nematiaram
Strathclyde Chancellor's Fellow
Pure and Applied Chemistry
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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
Qualifications
Certified Mental Health First Aider (MHFA England)
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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
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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
- AIchemy 2025 – Best Poster Award Referee
- Examiner
- 3/2025
- AIchemy Annual Conference
- Participant
- 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
- CCP5 AGM
- Speaker
- 4/9/2024
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
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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