TY - JOUR
T1 - A simple geometric structure optimizer for accelerated detection of infeasible zeolite graphs
AU - Wells, S.A.
AU - Foster, M.D.
AU - Treacy, M.M.J.
PY - 2006/7/28
Y1 - 2006/7/28
N2 - We describe a geometric structure optimizer that rapidly establishes whether or not SiO units in a hypothetical zeolite framework can exist as minimally-deformed regular tetrahedra. The optimizer, SiGH (Silica General Handler), enables an order of magnitude computational speed gain when processing large databases of zeolite graphs through the early rejection of infeasible graphs.
AB - We describe a geometric structure optimizer that rapidly establishes whether or not SiO units in a hypothetical zeolite framework can exist as minimally-deformed regular tetrahedra. The optimizer, SiGH (Silica General Handler), enables an order of magnitude computational speed gain when processing large databases of zeolite graphs through the early rejection of infeasible graphs.
UR - http://www.scopus.com/inward/record.url?scp=33745642276&partnerID=8YFLogxK
UR - http://dx.doi.org/10.1016/j.micromeso.2006.02.010
U2 - 10.1016/j.micromeso.2006.02.010
DO - 10.1016/j.micromeso.2006.02.010
M3 - Article
AN - SCOPUS:33745642276
SN - 1387-1811
VL - 93
SP - 151
EP - 157
JO - Microporous and Mesoporous Materials
JF - Microporous and Mesoporous Materials
IS - 1-3
ER -