Personal profile
Research Interests
- predictive materials modelling
- self-assembly
- peptide engineering
- molecular electronics
- high-performance computing
- molecular dynamics simulations
- electronic structure calculations
Biography
2021-present: Full Professor of Physics, University of Limerick, Ireland
2013-2021: Lecturer / Senior Lecturer / Associate Professor in Physics, University of Limerick, Ireland
2005-2013: Scientist in the Theory Modelling and Design Center at Tyndall National Institute, University College Cork, Ireland
2003-2005: Postdoctoral fellow in Computational Biophysics at Ecole Polytechnique (Advisor: Prof Thomas Simonson)
1999-2003: PhD in Computational Chemistry at University of Limerick (Supervisor: Prof Kieran Hodnett)
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Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
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Underlying Polymorphism: Superhelical Crystallization Induces Architectural and Functional Diversity
Zhang, Y., Pan, T., Guerin, S., Zhang, J., Tang, Y., Qiu, Z., Li, Q., Zhang, J., Wei, F., Wang, J., Yang, R., Mei, D., Thompson, D., Wei, G., Xu, H. & Tao, K., 27 Jan 2026, In: Small. 22, 6, e10542.Research output: Contribution to journal › Article › peer-review
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Discrete Actuation of Water-Responsive Crystalline Metal–Peptide Frameworks
Yuan, H., Tang, Y., Naranjo, E., Cazade, P. A., Yao, Y., Thangavel, V., Yang, R., Rencus-Lazar, S., Thompson, D., Shimon, L. J. W., Wei, G., Chen, X. & Gazit, E., 20 Oct 2025, In: Angewandte Chemie - International Edition. 64, 43, e202513629.Research output: Contribution to journal › Article › peer-review
Open Access -
Experimental and Computational Investigation of Surface-Responsive Riboflavin-Based Self-Assembled Systems
Aizen, R., Vijayakanth, T., Guerin, S., Cazade, P. A., Tiwari, O. S., Xue, B., Shimon, L. J. W., Cao, Y., Thompson, D. & Gazit, E., 22 Oct 2025, In: Chemistry - A European Journal. 31, 59, e00726.Research output: Contribution to journal › Article › peer-review
Open Access -
Litiophiophilic Nanowires for Guided Deposition in Li Metal Anodes
Abdul Ahad, S. A., Drews, J., Bhattacharya, S., Ryan, K. M., Kennedy, T., Thompson, D., Danner, T. & Geaney, H., Nov 2025, In: ECS Meeting Abstracts. MA2025-01, 6, p. 736-736 1 p.Research output: Contribution to journal › Article › peer-review
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Molecularly Engineered Memristors for Reconfigurable Neuromorphic Functionalities
Gaur, P., Kundu, B., Ghosh, P., Bhattacharya, S., Lohit, T., Harivignesh, S., Rath, S. P., Thompson, D., Goswami, S. & Goswami, S., 9 Dec 2025, (Accepted/In press) In: Advanced Materials.Research output: Contribution to journal › Article › peer-review