Emmanuel Haldoupis
Emmanuel Haldoupis
Postdoctoral Research Assistant , University of Minnesota
Verified email at umn.edu
Title
Cited by
Cited by
Year
Efficient calculation of diffusion limitations in metal organic framework materials: a tool for identifying materials for kinetic separations
E Haldoupis, S Nair, DS Sholl
Journal of the American Chemical Society 132 (21), 7528-7539, 2010
2702010
Finding MOFs for Highly Selective CO2/N2 Adsorption Using Materials Screening Based on Efficient Assignment of Atomic Point Charges
E Haldoupis, S Nair, DS Sholl
Journal of the American Chemical Society 134 (9), 4313-4323, 2012
1902012
Quantifying Large Effects of Framework Flexibility on Diffusion in MOFs: CH4 and CO2 in ZIF‐8
E Haldoupis, T Watanabe, S Nair, DS Sholl
ChemPhysChem 13 (15), 3449-3452, 2012
1742012
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
1292019
Pore size analysis of> 250000 hypothetical zeolites
E Haldoupis, S Nair, DS Sholl
Physical Chemistry Chemical Physics 13 (11), 5053-5060, 2011
912011
Selective, Tunable O2 Binding in Cobalt(II)–Triazolate/Pyrazolate Metal–Organic Frameworks
DJ Xiao, MI Gonzalez, LE Darago, KD Vogiatzis, E Haldoupis, L Gagliardi, ...
Journal of the American Chemical Society 138 (22), 7161-7170, 2016
832016
Ab Initio Derived Force Fields for Predicting CO2 Adsorption and Accessibility of Metal Sites in the Metal–Organic Frameworks M-MOF-74 (M = Mn, Co, Ni, Cu)
E Haldoupis, J Borycz, H Shi, KD Vogiatzis, P Bai, WL Queen, L Gagliardi, ...
The Journal of Physical Chemistry C 119 (28), 16058-16071, 2015
672015
Understanding diffusion in hierarchical zeolites with house-of-cards nanosheets
P Bai, E Haldoupis, PJ Dauenhauer, M Tsapatsis, JI Siepmann
ACS nano 10 (8), 7612-7618, 2016
402016
Accelerated computational analysis of metal–organic frameworks for oxidation catalysis
KD Vogiatzis, E Haldoupis, DJ Xiao, JR Long, JI Siepmann, L Gagliardi
The Journal of Physical Chemistry C 120 (33), 18707-18712, 2016
342016
CO2 Adsorption in M-IRMOF-10 (M = Mg, Ca, Fe, Cu, Zn, Ge, Sr, Cd, Sn, Ba)
J Borycz, D Tiana, E Haldoupis, JC Sung, OK Farha, JI Siepmann, ...
The Journal of Physical Chemistry C 120 (23), 12819-12830, 2016
172016
Screening metal organic framework materials
E Haldoupis, S Keskin, S Nair, DS Sholl
US Patent 8,725,482, 2014
92014
Advances
YG Chung, E Haldoupis, BJ Bucior
Updates, and Analytics for the Computation-Ready, Experimental Metal-Organic …, 2019
22019
Screening Metal Organic Framework Materials
E Haldoupis, S Keskin, S Nair, DS Sholl
12014
Identifying Best Core MOFs with Open Mg Sites for CO2/N2 Separation Using Computational Tools
H Demir, E Haldoupis, K Vogiatzis, E Fetisov, C Cramer, JI Siepmann, ...
2017 AIChE Annual Meeting, 2017
2017
Sorbate dynamics in hierarchical porous materials
J Siepmann, P Bai, E Haldoupis, M Tsapatsis
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 249, 2015
2015
Computational screening of MOFs with open metal sites for adsorption and catalysis applications
K Vogiatzis, E Haldoupis, J Siepmann, L Gagliardi
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 249, 2015
2015
Mulitscale modeling and screening of nanoporous materials and membranes for separations
E Haldoupis
Georgia Institute of Technology, 2013
2013
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Articles 1–17