Projects per year
Personal profile
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.
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
Expertise & Capabilities
- Developing Physical Models
- Theoretical and Computational Chemistry
- High-Throughput Virtual Screening
- Data-Driven Materials Discovery
- Materials Design Strategies
Academic / Professional qualifications
Certified Mental Health First Aider (MHFA England)
Education/Academic qualification
Postgraduate Certificate in Learning and Teaching in Higher Education (PGCLTHE), University of Strathclyde
Award Date: 20 Sept 2024
Doctor of Philosophy, University of Grenoble Alpes
2014 → 2017
External positions
Honorary Research Associate, University of Liverpool
26 Dec 2022 → …
Keywords
- Semiconductors
- Materials Chemistry
- Charge Transport
- Optical Properties
- High Throughput Screening
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- 1 Similar Profiles
Collaborations and top research areas from the last five years
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Accelerating Crystal Structure Prediction for Organic Semiconductors through Motif-Constrained Search
Nematiaram, T. (Principal Investigator)
30/10/25 → 29/10/26
Project: Research
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BenchmarkSet-500: High-Accuracy Excited-State Reference Data for Organic Semiconductors (PSDI)
Nematiaram, T. (Principal Investigator)
EPSRC (Engineering and Physical Sciences Research Council)
1/10/25 → 31/03/26
Project: Research
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Inverting singlet–triplet gaps by design
Rivera Blair, L. & Nematiaram, T., 28 Aug 2025, In: Journal of Materials Chemistry C. 13, 34, p. 17769-17779 11 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile3 Citations (Scopus)4 Downloads (Pure) -
Accelerating the discovery of high-mobility molecular semiconductors: a machine learning approach
Nematiaram, T., Lamprou, Z. & Moshfeghi, Y., 31 Jan 2025, (E-pub ahead of print) In: Chemical Communications. 61, 18, p. 3676-3679 4 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile1 Citation (Scopus)20 Downloads (Pure)
Datasets
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Data for: "Organic materials repurposing, a data set for theoretical predictions of new applications for existing compounds"
Nematiaram, T. (Contributor) & Omar, Ö. H. (Creator), University of Liverpool, 6 Feb 2023
DOI: 10.17638/datacat.liverpool.ac.uk/1472
Dataset
Prizes
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Best Poster Prize - The Leverhulme Research Centre for Functional Materials Design Symposium
Nematiaram, T. (Recipient), 2022
Prize: National/international honour
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Activities
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Doctoral School Multidisciplinary Symposium (DSMS) 2025
Zollner, M. (Speaker), Nematiaram, T. (Speaker) & Moshfeghi, Y. (Speaker)
28 Aug 2025Activity: Presenting or Organising an Event › Conference, workshop, seminar or course
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