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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CAS: Green Graphitic Carbon from Natural Precursors Using Graphene Oxide Additives: A Combined Experimental and Atomistic Approach
Bristol, U. O., Vander Wal, R. L. & Van Duin, A.
10/1/19 → 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., Olivetti, E. E. A., Van Duin, A., Mahdavi, M. & Morgan, D. D.
9/1/20 → 8/31/23
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., Van Duin, A., Shen, C., Wauthier, C. & Gervais, M.
8/15/20 → 7/31/23
Project: Research project
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Collaborative Research: CDS&E: ReaxFF2: Efficient and Scalable Methods for Long-time Reactive Molecular Dynamics Simulations
9/1/18 → 8/31/22
Project: Research project
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A Graph Dynamical neural network approach for decoding dynamical states in ferroelectrics.
Dhakane, A., Xie, T., Yilmaz, D., Duin, A. V., Sumpter, B. G. & Ganesh, P., Jun 2023, In: Carbon Trends. 11, 100264.Research output: Contribution to journal › Article › peer-review
Open Access2 Scopus citations -
Aqueous phase conversion of CO2 into acetic acid over thermally transformed MIL-88B catalyst
Ahmad, W., Koley, P., Dwivedi, S., Lakshman, R., Shin, Y. K., van Duin, A. C. T., Shrotri, A. & Tanksale, A., Dec 2023, In: Nature communications. 14, 1, 2821.Research output: Contribution to journal › Article › peer-review
Open Access2 Scopus citations -
Aqueous Stability of Metal-Organic Frameworks Using ReaxFF-Based Metadynamics Simulations
Yang, Y., Shin, Y. K., Ooe, H., Yin, X., Zhang, X., van Duin, A. C. T., Murase, Y. & Mauro, J. C., Jul 20 2023, In: Journal of Physical Chemistry B. 127, 28, p. 6374-6384 11 p.Research output: Contribution to journal › Article › peer-review
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Atomistic insight into the effects of electrostatic fields on hydrocarbon reaction kinetics
Kritikos, E. M., Lele, A., Van Duin, A. C. T. & Giusti, A., Feb 7 2023, In: Journal of Chemical Physics. 158, 5, 054109.Research output: Contribution to journal › Article › peer-review
Open Access1 Scopus citations -
Choice of Electrolyte Impacts the Selectivity of Proton-Coupled Electrochemical Reactions on Hydrogen Titanate
Fortunato, J., Shin, Y. K., Spencer, M. A., van Duin, A. C. T. & Augustyn, V., Jun 29 2023, In: Journal of Physical Chemistry C. 127, 25, p. 11810-11821 12 p.Research output: Contribution to journal › Article › peer-review
1 Scopus citations