Projects per year
Search results
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Active
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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Finished
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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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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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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MRI: Acquisition of High Performance Hybrid Computing Cluster to Advance Cyber-Enabled Science and Education at Penn State
Gulis, C. Y. (PI), Ford, E. B. (CoPI), Cowen, D. (CoPI), Van Duin, A. (CoPI) & Kandemir, M. (CoPI)
10/1/16 → 9/30/19
Project: Research project
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Fundamental Mechanisms for Mechanochemical Behaviors of Glass Surfaces - An Integrated Experimental and Computational Approach
Kim, S. (PI), Pantano, C. G. (CoPI), Sinnott, S. B. (CoPI) & Van Duin, A. (CoPI)
9/1/16 → 12/31/20
Project: Research project
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Collaborative Research: Modifying oxide surfaces with functional atomic-layers for nano-engineered catalysts
Janik, M. J. (PI) & Van Duin, A. (CoPI)
7/15/15 → 6/30/19
Project: Research project
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Multiscale Modeling of Defect Rearrangement and Removal in 2D Layered Crystals
Zhang, S. S. (PI) & Van Duin, A. (CoPI)
4/15/15 → 8/31/18
Project: Research project
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NRT-DESE: Computational Materials Education and Training - Bridging Methods and Applications (COMET)
Fichthorn, K. A. (PI), Sofo, J. O. (CoPI), Van Duin, A. (CoPI) & Janik, M. J. (CoPI)
4/1/15 → 3/31/21
Project: Research project
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Understanding the Failure Mechanisims of Nanoelectrodes in Li-Ion Batteries: Integrating Multiscale Modeling with In-situ Experimental Studies
Zhang, S. S. (PI) & Van Duin, A. (CoPI)
10/1/12 → 6/30/16
Project: Research project
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New anticancer drugs
Van Duin, A. (PI) & Craik, D. D. (PI)
10/1/11 → 12/31/15
Project: Research project
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Collaborative Research: Experimental and theoretical study on the structure and catalytic activity of metal cluster/metal oxide interfaces
Van Duin, A. (PI) & Janik, M. J. (CoPI)
9/1/10 → 8/31/14
Project: Research project
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ITR-ASE-Sim: Collaborative Research: De Novo Hierarchical Simulations of Stress Corrosion Cracking in Materials
Goddard, W. A. (PI), Meulbroek, P. (CoPI), Ortiz, M. M. (CoPI), Van Duin, A. (CoPI) & Cagin, T. (CoPI)
9/1/04 → 8/31/09
Project: Research project