Projects per year
Personal profile
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
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Dive into the research topics where Adri Van Duin is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Collaborations and top research areas from the last five years
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Collaborative Research: Engineering spatiotemporal temperature control of solvated noble-metal nanoparticles through the understanding of solid-water nanoscale conduction
Ramos Alvarado, B. (PI), Kim, S. H. (CoPI) & Van Duin, A. (CoPI)
1/1/25 → 12/31/27
Project: Research project
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ECLIPSE Computational and experimental approaches to understanding CO2 hydrogenation to higher hydrocarbons using non-thermal plasma
Noh, G. (PI), Van Duin, A. (CoPI) & Knecht, S. (CoPI)
5/15/24 → 4/30/27
Project: Research project
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CAS: Green Graphitic Carbon from Natural Precursors Using Graphene Oxide Additives: A Combined Experimental and Atomistic Approach
Friedemann, S. (CoI), Hinlopen, R. R. (CoI), Vander Wal, R. L. (PI) & Van Duin, A. (CoPI)
9/30/19 → 7/31/26
Project: Research project
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AI Institute: Planning: Institute for AI-Enabled Materials Discovery, Design, and Synthesis
Honavar, V. G. (PI), Morgan, D. (CoPI), Van Duin, A. (CoPI), Olivetti, E. A. (CoPI) & Mahdavi, M. (CoPI)
9/1/20 → 8/31/24
Project: Research project
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MRI: Acquisition of a Purpose-Built Deep Learning Compute System to Advance Fundamental Research and Education at Penn State
Cowen, D. (PI), Van Duin, A. (CoPI), Shen, C. (CoPI), Wauthier, C. (CoPI) & Gervais, M. (CoPI)
8/15/20 → 7/31/23
Project: Research project
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Critical nanoparticle formation in iron combustion: single particle experiments with in-situ multi-parameter diagnostics aided by multi-scale simulations
Li, T., Nguyen, B. D., Gao, Y., Elsässer, L., Ning, D., Scholtissek, A., van Duin, A. C. T., Hasse, C. & Böhm, B., Jan 15 2026, In: Fuel. 404, 136303.Research output: Contribution to journal › Article › peer-review
Open Access -
Analyzing the impact of Se concentration during the molecular beam epitaxy deposition of 2D SnSe with atomistic-scale simulations and explainable machine learning
Chin, J. R., Moses, I. A., Wang, M., Frye, M. B., Yu, M., Nayir, N., Hilse, M., van Duin, A. C. T., Law, S., Reinhart, W. & Garten, L. M., Dec 2025, In: Materials Today Advances. 28, 100640.Research output: Contribution to journal › Article › peer-review
Open Access -
Atomic insights into corrosion of Fe-Cr alloy in chloride contaminated environment: Development of JAX-ReaxFF force field
Liu, G., Li, M., van Duin, A. C. T. & Zhang, Y., May 30 2025, In: Construction and Building Materials. 477, 141351.Research output: Contribution to journal › Article › peer-review
2 Scopus citations -
Atomic-Scale Mechanistic Insights into the Ring-Opening Polymerization of Elemental Sulfur
Wang, M., Md Pratik, S., Nayir, N., Tameh, M. S., Coropceanu, V., Bredas, J. L., Pyun, J., van Duin, A. C. T. & Saiev, S., Oct 27 2025, In: Angewandte Chemie - International Edition. 64, 44, e202511640.Research output: Contribution to journal › Article › peer-review
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Corrigendum to “Advances in developing cost-effective carbon fibers by coupling multiscale modeling and experiments: A critical review” [Prog. Mater. Sci. 146 (2024) 101329] (Progress in Materials Science (2024) 146, (S0079642524000987), (10.1016/j.pmatsci.2024.101329))
Zhu, J., Gao, Z., Mao, Q., Gao, Y., Li, Y., Zhang, X., Gao, Q., Jiang, M., Lee, S. & van Duin, A. C. T., Jun 2025, In: Progress in Materials Science. 152, 101469.Research output: Contribution to journal › Comment/debate › peer-review