Articles with public access mandates - Maciej HaranczykLearn more
Not available anywhere: 11
Gas diffusion in a porous organic cage: analysis of dynamic pore connectivity using molecular dynamics simulations
D Holden, KE Jelfs, A Trewin, DJ Willock, M Haranczyk, AI Cooper
The Journal of Physical Chemistry C 118 (24), 12734-12743, 2014
Mandates: UK Engineering and Physical Sciences Research Council, European Commission
Computational identification of organic porous molecular crystals
JD Evans, DM Huang, M Haranczyk, AW Thornton, CJ Sumby, ...
CrystEngComm 18 (22), 4133-4141, 2016
Mandates: US Department of Energy, Australian Research Council
High-rate and ultralong-life Mg–Li hybrid batteries based on highly pseudocapacitive dual-phase TiO2 nanosheet cathodes
M Vincent, VS Avvaru, MC Rodriguez, M Haranczyk, V Etacheri
Journal of Power Sources 506, 230118, 2021
Mandates: Government of Spain
Fast-charging and long-lasting Mg-Na hybrid batteries based on extremely pseudocapacitive bronze TiO2 nanosheet cathodes
M Vincent, VS Avvaru, M Haranczyk, V Etacheri
Chemical Engineering Journal 433, 133810, 2022
Mandates: Government of Spain
High‐Performance Mg−Li Hybrid Batteries Based on Pseudocapacitive Anatase Ti1‐xCoxO2‐y Nanosheet Cathodes
M Vincent, VS Avvaru, M Haranczyk, V Etacheri
ChemSusChem 15 (6), e202102562, 2022
Mandates: Government of Spain
In silico design and assembly of cage molecules into porous molecular materials
M Bernabei, R Pérez-Soto, IG García, M Haranczyk
Molecular Systems Design & Engineering 3 (6), 942-950, 2018
Mandates: US Department of Energy, Government of Spain
Computational discovery of a large-imine-cage-based porous molecular material and its application in water desalination
M Bernabei, RP Soto, IG García, M Haranczyk
Molecular Systems Design & Engineering 4 (4), 912-920, 2019
Mandates: US Department of Energy, Government of Spain
Data-Driven Experimental Design of Rheological Clay–Polymer Composites
G Lo Dico, B Muñoz, V Carcelén, M Haranczyk
Industrial & Engineering Chemistry Research 61 (31), 11455-11463, 2022
Mandates: Government of Spain
Toward crystalline porosity estimators for porous molecules
IG García, M Haranczyk
CrystEngComm 22 (43), 7242-7251, 2020
Mandates: US Department of Energy, Government of Spain
Towards stable porous crystalline phases of molecular belts
M Bernabei, R Pérez-Soto, IG García, M Haranczyk
CrystEngComm 19 (46), 6932-6935, 2017
Mandates: US Department of Energy, Government of Spain
Building Mathematics, Algorithms, and Software for Experimental Facilities
H Chang, JJ Donatelli, P Enfedaque, G Freychet, M Haranczyk, ...
HANDBOOK ON BIG DATA AND MACHINE LEARNING IN THE PHYSICAL SCIENCES: Volume 2 …, 2020
Mandates: US Department of Energy
Available somewhere: 75
Computation-ready, experimental metal–organic frameworks: A tool to enable high-throughput screening of nanoporous crystals
YG Chung, J Camp, M Haranczyk, BJ Sikora, W Bury, V Krungleviciute, ...
Chemistry of Materials 26 (21), 6185-6192, 2014
Mandates: US Department of Energy
Advances, updates, and analytics for the computation-ready, experimental metal–organic framework database: CoRE MOF 2019
YG Chung, E Haldoupis, BJ Bucior, M Haranczyk, S Lee, H Zhang, ...
Journal of Chemical & Engineering Data 64 (12), 5985-5998, 2019
Mandates: US National Science Foundation, US Department of Energy
Metal–organic framework with optimally selective xenon adsorption and separation
D Banerjee, CM Simon, AM Plonka, RK Motkuri, J Liu, X Chen, B Smit, ...
Nature Communications 7 (1), 1-7, 2016
Mandates: US National Science Foundation, US Department of Energy
Kinetically tuned dimensional augmentation as a versatile synthetic route towards robust metal–organic frameworks
D Feng, K Wang, Z Wei, YP Chen, CM Simon, RK Arvapally, RL Martin, ...
Nature communications 5 (1), 5723, 2014
Mandates: US Department of Energy
The materials genome in action: identifying the performance limits for methane storage
CM Simon, J Kim, DA Gomez-Gualdron, JS Camp, YG Chung, RL Martin, ...
Energy & Environmental Science 8 (4), 1190-1199, 2015
Mandates: US Department of Energy
Progress in Ab Initio QM/MM Free-Energy Simulations of Electrostatic Energies in Proteins: Accelerated QM/MM Studies of pKa, Redox Reactions and Solvation …
SCL Kamerlin, M Haranczyk, A Warshel
The journal of physical chemistry B 113 (5), 1253-1272, 2009
Mandates: US National Institutes of Health
pyIAST: Ideal adsorbed solution theory (IAST) Python package
CM Simon, B Smit, M Haranczyk
Computer Physics Communications 200, 364-380, 2016
Mandates: US Department of Energy
What are the best materials to separate a xenon/krypton mixture?
CM Simon, R Mercado, SK Schnell, B Smit, M Haranczyk
Chemistry of Materials 27 (12), 4459-4475, 2015
Mandates: US Department of Energy, Research Council of Norway
An assessment of strategies for the development of solid-state adsorbents for vehicular hydrogen storage
MD Allendorf, Z Hulvey, T Gennett, A Ahmed, T Autrey, J Camp, ES Cho, ...
Energy & Environmental Science 11 (10), 2784-2812, 2018
Mandates: US National Science Foundation, US Department of Energy
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