M
Maciej Haranczyk
Researcher at IMDEA
Publications - 166
Citations - 11632
Maciej Haranczyk is an academic researcher from IMDEA. The author has contributed to research in topics: Adsorption & Tautomer. The author has an hindex of 50, co-authored 160 publications receiving 9347 citations. Previous affiliations of Maciej Haranczyk include University of Science and Technology of China & Battelle Memorial Institute.
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Journal ArticleDOI
Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials
Thomas Willems,Chris H. Rycroft,Chris H. Rycroft,Michael Kazi,Michael Kazi,Juan Meza,Maciej Haranczyk +6 more
TL;DR: Here, algorithms and tools to efficiently calculate some of the geometrical parameters describing pores are presented based on the Voronoi decomposition, which for a given arrangement of atoms in a periodic domain provides a graph representation of the void space.
Journal ArticleDOI
Correction: Corrigendum: Kinetically tuned dimensional augmentation as a versatile synthetic route towards robust metal–organic frameworks
Dawei Feng,Kecheng Wang,Zhangwen Wei,Ying-Pin Chen,Cory M. Simon,Ravi K. Arvapally,Richard L. Martin,Mathieu Bosch,Tian-Fu Liu,Stephen Fordham,Daqiang Yuan,Mohammad A. Omary,Maciej Haranczyk,Berend Smit,Hong-Cai Zhou +14 more
TL;DR: This work was supported by the Methane Opportunities for Vehicular Energy Program under the Award Number DE-AR0000249 and as part of the Center for Gas Separations Relevant to Clean Energy Technologies, an Energy Frontier Research Center (EFRC) funded by the U.S. Department of Energy.
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In silico screening of carbon-capture materials
Li-Chiang Lin,Adam H. Berger,Richard L. Martin,Jihan Kim,Joseph A. Swisher,Joseph A. Swisher,Kuldeep Jariwala,Chris H. Rycroft,Chris H. Rycroft,Abhoyjit S. Bhown,Michael W. Deem,Maciej Haranczyk,Berend Smit,Berend Smit +13 more
TL;DR: This analysis has screened hundreds of thousands of zeolite and zeolitic imidazolate framework structures and identified many different structures that have the potential to reduce the parasitic energy of CCS by 30-40% compared with near-term technologies.
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Computation-Ready, Experimental Metal–Organic Frameworks: A Tool To Enable High-Throughput Screening of Nanoporous Crystals
Yongchul G. Chung,Jeffrey S. Camp,Maciej Haranczyk,Benjamin J. Sikora,Wojciech Bury,Vaiva Krungleviciute,Vaiva Krungleviciute,Taner Yildirim,Taner Yildirim,Omar K. Farha,David S. Sholl,Randall Q. Snurr +11 more
TL;DR: In this article, the authors constructed a database of metal-organic frameworks (MOF) structures that are derived from experimental data but are immediately suitable for molecular simulations, and performed grand canonical Monte Carlo simulations of methane adsorption on all structures in the database.
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Metal-organic framework with optimally selective xenon adsorption and separation.
Debasis Banerjee,Cory M. Simon,Anna M. Plonka,Radha Kishan Motkuri,Jian Liu,Xianyin Chen,Berend Smit,Berend Smit,John B. Parise,John B. Parise,Maciej Haranczyk,Praveen K. Thallapally +11 more
TL;DR: A high-throughput computational screening of large databases of metal–organic frameworks is carried out and it is affirm that SBMOF-1 exhibits by far the highest reported xenon adsorption capacity and a remarkable Xe/Kr selectivity under conditions pertinent to nuclear fuel reprocessing.