Efficient Determination of Accurate Force Fields for Porous Materials Using ab Initio Total Energy Calculations

Kim, J.Lin, L. C.Lee, K.Neaton, J. B.Smit, B.2014-08-142014-08-142014-08-14201410.1021/jp412368mhttps://infoscience.epfl.ch/handle/20.500.14299/105693WOS:000331153700052Efficient Determination of Accurate Force Fields for Porous Materials Using ab Initio Total Energy Calculationstext::journal::journal article::research article