Density functional methods for fast screening of metal–organic frameworks for hydrogen storage J Fu, Y Liu, Y Tian, J Wu The Journal of Physical Chemistry C 119 (10), 5374-5385, 2015 | 57 | 2015 |
An ab initio force field for predicting hydrogen storage in IRMOF materials J Fu, H Sun The Journal of Physical Chemistry C 113 (52), 21815-21824, 2009 | 57 | 2009 |
High-throughput prediction of the hydration free energies of small molecules from a classical density functional theory Y Liu, J Fu, J Wu The Journal of Physical Chemistry Letters 4 (21), 3687-3691, 2013 | 48 | 2013 |
Classical density functional theory for methane adsorption in metal‐organic framework materials J Fu, Y Tian, J Wu AIChE Journal 61 (9), 3012-3021, 2015 | 47 | 2015 |
Excess-entropy scaling for gas diffusivity in nanoporous materials Y Liu, J Fu, J Wu Langmuir 29 (42), 12997-13002, 2013 | 40 | 2013 |
Nitrogen-doped porous aromatic frameworks for enhanced CO2 adsorption J Fu, J Wu, R Custelcean, D Jiang Journal of colloid and interface science 438, 191-195, 2015 | 37 | 2015 |
Seeking metal–organic frameworks for methane storage in natural gas vehicles J Fu, Y Tian, J Wu Adsorption 21, 499-507, 2015 | 26 | 2015 |
Molecular density functional theory for multiscale modeling of hydration free energy J Fu, Y Liu, J Wu Chemical Engineering Science 126, 370-382, 2015 | 22 | 2015 |
Fast prediction of hydration free energies for SAMPL4 blind test from a classical density functional theory J Fu, Y Liu, J Wu Journal of computer-aided molecular design 28, 299-304, 2014 | 22 | 2014 |
Toward high-throughput predictions of the hydration free energies of small organic molecules from first principles J Fu, J Wu Fluid Phase Equilibria 407, 304-313, 2016 | 13 | 2016 |
Predicting hydration free energies of amphetamine-type stimulants with a customized molecular model J Li, J Fu, X Huang, D Lu, J Wu Journal of Physics: Condensed Matter 28 (34), 344001, 2016 | 6 | 2016 |
Prediction of adsorption of small molecules in porous materials based on ab initio force field method LC Liu, J Fu, H Sun Science in China Series B: Chemistry 51 (8), 760-767, 2008 | 6 | 2008 |
Density Functional Theory for High-Throughput Screening of Chemicals and Materials J Fu University of California, Riverside, 2015 | | 2015 |