|CCL 06.09.15 Amsterdam Density Functional package (ADF) Seminar, Stanford University, CA|
From: chemistry-request at ccl.net
To: chemistry-request at ccl.net
Date: Wed Aug 16 16:17:11 2006
Subject: 06.09.15 Amsterdam Density Functional package (ADF) Seminar, Stanford University, CA
Amsterdam Density Functional package (ADF) Seminar Stanford University Sept. 15, 2006 Amsterdam Density Functional package (ADF) - a leading software package for quantum chemistry research using Density Functional Theory (DFT) 2006 Release Department of Chemistry, Stanford University 333 Campus Drive Chemistry Gazebo 15 Sept 2006, 11am-2pm Prof. Edward I. Solomon, Monroe E. Spaght Professor of Chemistry Dr S.I. Gorelsky - gorelsky%stanford.edu Chrissy Brown, PhD Candidate - cdbrown9%stanford.edu Agenda Introductions Prof. Solomon, Stanford University & Seascape 11am-12pm: Overview Seminar: Dr. Stan van Gisbergen, CEO, SCM Scientific updates on ADF. [Geared towards faculty etc. who are not necessarily users, but interested in learning about ADF, new features etc.] - Overview of ADF's capabilities in general (approx. 20 min) - Brief summary of new developments in ADF2006 (approx. 15 min) - Brief demonstration of the ADF-GUI (approx. 10min.) - Q&A session (approx. 10 min.) 12pm-1pm: Lunch [with Prof. Solomon]. FREE Pizza for all attendees 1-2pm: Demo/discussions: Dr. Stan van Gisbergen, CEO, SCM In depth, demo/discussion of new developments in the ADF package geared toward ADF users. - Details on ADF2006 developments and future plans - Examples with the ADF-GUI (demo) - Q&A session About SCM/ADF ( http://www.scm.com ). Scientific Computing & Modelling develops The Amsterdam Density Functional package (ADF) - a leading software package for quantum chemistry research using Density Functional Theory (DFT). SCM is a company spun off from the Baerends group in Amsterdam since 1995 for development of ADF. SCM operates from Vrije Universiteit, Theoretical Chemistry, Amsterdam, The Netherlands. Seascape ( http://www.seascapelearning.com ) represents SCM in California and India. Seascape R&D Network enables organizations engaged in nanosciences, materials, pharma, biotech and chemical research; to increase the cost-effectiveness and innovation potential of their R&D by tapping into scientific resources from India through contract research projects. Strong points of ADF: many properties and environment models for almost any molecule excels at transition metal and heavy element compounds. ADF2006 Release: - First release of BAND-GUI to set up and visualize results of periodic structure calculations - ADF-GUI improvements: fragment support, easy building of inorganic compounds, QM/MM calculations on proteins, visualization of spin-orbit results - Analytic second derivatives for fast and robust frequency calculations at the GGA level - Hybrid functionals (such as B3LYP) supported during SCF - Spin-orbit coupled TDDFT, frozen-density embedding, resonance RamanNOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!
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