| 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 | 475 | 2019 |
| 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 | 333 | 2010 |
| 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 | 225 | 2012 |
| 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 | 217 | 2012 |
| 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 | 107 | 2016 |
| Pore size analysis of> 250000 hypothetical zeolites E Haldoupis, S Nair, DS Sholl Physical Chemistry Chemical Physics 13 (11), 5053-5060, 2011 | 103 | 2011 |
| 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 | 97 | 2015 |
| 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 | 61 | 2016 |
| 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 | 59 | 2016 |
| 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 | 26 | 2016 |
| Screening metal organic framework materials E Haldoupis, S Keskin, S Nair, DS Sholl US Patent 8,725,482, 2014 | 9 | 2014 |
| Advances YG Chung, E Haldoupis, BJ Bucior Updates, and Analytics for the Computation-Ready, Experimental Metal-Organic …, 2019 | 2 | 2019 |
| 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, J 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 |
J. Ilja SiepmannDepts. of Chemistry and of Chem. Eng. & Mats. Sci. and Chemical Theory Center, U. MinnesotaVerified email at umn.edu
