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
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
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ECLIPSE Computational and experimental approaches to understanding CO2 hydrogenation to higher hydrocarbons using non-thermal plasma
Van Duin, A. (CoPI), Knecht, S. (CoPI) & Noh, G. (PI)
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), Van Duin, A. (CoPI) & Vander Wal, R. L. (PI)
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. 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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EAGER: Collaborative Research: MATDAT18 Type-I: Development of a machine learning framework to optimize ReaxFF force field parameters.
Van Duin, A. (PI)
10/1/18 → 9/30/20
Project: Research project
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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., 2025, (Accepted/In press) In: Progress in Materials Science. 101469.Research output: Contribution to journal › Comment/debate › peer-review
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Retention, sputtering and surface chemistry at tungsten oxide surface facing deuterium plasma
Sharkass, M., Dwivedi, S., Shin, Y. K., Nieto-Perez, M., van Duin, A. C. T. & Krstic, P. S., Feb 2025, In: Journal of Nuclear Materials. 606, 155622.Research output: Contribution to journal › Article › peer-review
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Synergy of Pyridinic-N and Co Single Atom Sites for Enhanced Oxygen Redox Reactions in High-Performance Zinc-Air Batteries
Askari, S., Dwivedi, S., Alivand, M. S., Lim, K. H., Biniaz, P., Zavabeti, A., Kawi, S., Hill, M. R., van Duin, A. C. T., Tanksale, A., Majumder, M. & Chakraborty Banerjee, P., 2025, (Accepted/In press) In: Small.Research output: Contribution to journal › Article › peer-review
Open Access -
Unveiling novel structural complexity of spiral carbon nanomaterials: Review on mechanical, thermal, and interfacial behaviors via molecular dynamics
Sharifian, A., Fareghi, P., Baghani, M., Odegard, G. M., van Duin, A. C. T., Rajabpour, A., Wu, J. & Baniassadi, M., Feb 5 2025, In: Journal of Molecular Structure. 1321, 139837.Research output: Contribution to journal › Review article › peer-review
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Adsorption of CO2 by Amine-Functionalized Metal-Organic Frameworks Using GCMC and ReaxFF-Based Metadynamics Simulations
Yang, Y., Shin, Y. K., Ooe, H., Hasegawa, U., Yamane, S., Yamada, H., van Duin, A. C. T., Murase, Y. & Mauro, J. C., Mar 28 2024, In: Journal of Physical Chemistry C. 128, 12, p. 5257-5270 14 p.Research output: Contribution to journal › Article › peer-review
2 Scopus citations