|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!!!
All @ signs were changed to % to fight spam. Before you send e-mail, you need to change % to @
For example: change joe%big123comp.com to email@example.com
Please let colleagues know about conference listingts at Computational Chemistry List Conference Page at http://www.ccl.net/chemistry/a/conferences/.
Please help: If you find this conference list useful but you noticed some conference missing, please consider including it here by using the Conference Submission Page. It is free but your support is welcome. You will help others!!!
|Modified: Wed Aug 16 20:17:11 2006 GMT|
|Page accessed 4575 times since Wed Aug 16 20:17:11 2006 GMT|
Please help maintain CCL: If you found that your conference is listed here, please consider supporting CCL as a Supporting Member or use other Paid Services of CCL to ensure the continuation of this useful service. We cannot do it without your help.