From owner-chemistry@ccl.net Mon Jun 11 00:55:01 2012 From: "Andre Silva Pimentel a_pimentel(!)puc-rio.br" To: CCL Subject: CCL: Special issue: Molecular Modeling Advancements and Applications Message-Id: <-47067-120610190331-32345-IjGPtZdnRh5hn9Pq31LHhA ~~ server.ccl.net> X-Original-From: "Andre Silva Pimentel" Date: Sun, 10 Jun 2012 19:03:28 -0400 Sent to CCL by: "Andre Silva Pimentel" [a_pimentel%a%puc-rio.br] Call for papers Submit a paper in a Special Issue about Molecular Modeling http://www.hindawi.com/journals/chem/si/497821/cfp/ We are interested in putting together a collection of significant papers on molecular modeling, including original contributions aiming at developing and applying simulation methodologies in biology and biochemistry, chemistry, nanomaterials, medicine, bionanotechnology, and surface science. Potential topics include, but are not limited to: Protein folding and protein misfolding Computer-aided and rational drug design Receptor modeling, docking, and scoring Protein-protein and protein-ligand interactions Modeling of nanomaterials, surfactants, polymers, self-assembly, supramolecular chemistry, membranes, biopolymers (DNA, RNA) Modeling of reaction mechanisms and enzyme catalysis Sincerely, Andre Silva Pimentel From owner-chemistry@ccl.net Mon Jun 11 20:03:00 2012 From: "Youzhao Lan lyzhao!=!zjnu.cn" To: CCL Subject: CCL: Is there a QMC program for calculating the polarizability of molecule Message-Id: <-47068-120611193307-18986-l9dfurI4W3mgSAt2ug0olQ]![server.ccl.net> X-Original-From: "Youzhao Lan" Date: Mon, 11 Jun 2012 19:33:05 -0400 Sent to CCL by: "Youzhao Lan" [lyzhao|zjnu.cn] Dear all, Is there a quantum monte carlo (QMC) program for calculating the (hyper)polarizability of atom or molecule? Best regards. ======================================================== -------------------------------------------------------- Youzhao Lan Institute of Physical Chemistry, Department of Chemistry,College of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua, Zhejiang, 321004, China. HomePage: http://blog.sciencenet.cn/u/lyzhao -------------------------------------------------------- ========================================================