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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SDG 7 Affordable and Clean Energy -
SDG 12 Responsible Consumption and Production -
SDG 13 Climate Action -
SDG 14 Life Below Water
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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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Projects
- 19 Finished
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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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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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Collaborative Research: CDS&E: ReaxFF2: Efficient and Scalable Methods for Long-time Reactive Molecular Dynamics Simulations
Van Duin, A. (PI)
9/1/18 → 8/31/22
Project: Research project
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Collaborative Research: CDS&E: ReaxFF2: Efficient and Scalable Methods for Long-time Reactive Molecular Dynamics Simulations
Van Duin, A. (PI)
9/1/18 → 8/31/22
Project: Research project
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Graphene Encapsulated Growth of 2D Materials
Redwing, J. M. (PI) & Van Duin, A. (CoPI)
7/1/18 → 6/30/23
Project: Research project
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Third-body stabilization of supercritical CO2 in CO oxidation: development and application of a ReaxFF force field for the CO/O/CO2 system
Chowdhury, E. H., Aryanpour, M., Kyung Shin, Y., Ramos-Alvarado, B., Ihme, M. & van Duin, A. C. T., Jan 1 2027, In: Fuel. 427, 139582.Research output: Contribution to journal › Article › peer-review
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2D Indium Oxide at the Epitaxial Graphene/SIC Interface: Synthesis, Structure, Properties, and Devices
Turker, F., Xu, B., Dong, C., Labella, M., Nayir, N., Sheremetyeva, N., Trdinich, Z. J., Zhang, D., Adabasi, G., Pourbahari, B., Lu, L. S., Auker, W. E., Wang, K., Baykara, M., Meunier, V., Bassim, N., van Duin, A. C. T., Crespi, V. H. & Robinson, J. A., Jan 27 2026, In: Advanced Materials. 38, 6, e16133.Research output: Contribution to journal › Article › peer-review
Open Access1 Link opens in a new tab Scopus citations -
A ReaxFF-based thermomechanical analysis of N-carbophenes: Phase-change, thermal expansion, and high temperature synthesis pathway
Junkermeier, C. E., Lavarez, K., Adra, R. M., Diaz, V. A., Osterstock, H., Casinto, P., Verano, M., Paupitz, R. & van Duin, A. C. T., Jun 5 2026, In: Computational Materials Science. 270, 114747.Research output: Contribution to journal › Article › peer-review
Open Access -
Atomistic-Scale Simulations of the High-Temperature Chemistry of Si/C/O/H-Based Polymers and Their Conversion to Si/C Solid Materials
Hosna, A. U. & van Duin, A. C. T., Jan 29 2026, In: Journal of Physical Chemistry C. 130, 4, p. 1645-1660 16 p.Research output: Contribution to journal › Article › peer-review
Open Access3 Link opens in a new tab Scopus citations -
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 Access15 Link opens in a new tab Scopus citations