Newsletter May 2016

Contents summary

Conferences, seminars and workshops

There are plenty of events coming up. We would love to talk to you in person about the capabilities of the ADF Modeling Suite as well as collaboration options at one of these opportunities.

The 2-day hands-on ReaxFF workshop in London will feature world-leading expert Adri van Duin and other external experts. The workshop will focus on trajectory analysis and reparameterization. There are limited spots for industrial participants at a nominal fee.

Upcoming events

5-9 June 99th Canadian Chemistry Conference (Tom Ziegler award; invited talks by Stan van Gisbergen & Evert Jan Baerends)
1 July 1-day hands on ADF workshop, NCHC, Hsinchu, Taiwan (Fedor Goumans, register)
4-6 July Expo: Australian symposium on Computationally Enhanced Materials Design (ACEMD), Sydney (Fedor)
8 July 1-day hands on ADF workshop, A* CRC, Singapore (Fedor, register)
19 August Informal seminar at Penn State (Ole Carstensen & Fedor)
21-23 August Expo: ACS Fall meeting Philadelphia (Ole & Fedor)
26 August Informal seminar at Caltech (Ole & Fedor)
28 August – 2 September Expo + talks: Theory and Applications of Computational Chemistry (TACC), Seattle (Fedor & Thomas Soini)
5 – 7 September Expo + talk: International Conference on Advanced Materials Modelling (ICAMM), Rennes (Ole)
5 – 7 September Talk + demo: Multiscale Simulation: from Materials through to Industrial Usage, Dublin (Thomas)
27-28 September 2-day hands on ReaxFF workshop, Imperial College London (Ole & Fedor, with Adri van Duin and others)
13-16 November Expo: American Institute of Chemical Engineers annual meeting, San Francisco (Ole & Fedor)

First Tom Ziegler Award

To keep remembering Tom Ziegler’s enormous contributions to DFT methods and applications in chemistry, the Tom Ziegler Award will be awarded every year to a scientist residing in Canada who has made a distinguished contribution to computational or theoretical chemistry while working in Canada.

Befittingly, the first award will be handed to his former PhD student Tom Woo at the 99th Canadian Chemistry Conference, where a special session Celebrating the Life and Science of Tom Ziegler will be held, with invited talks by ADF founding father Evert Jan Baerends and others. Our CEO Stan van Gisbergen will give invited talks in the Advances in Computational Modeling of Structure and Reactivity session.

ADF 2016.103 Subrelease

Since our 2016 release in March a few bugs have been fixed and the default Linux IntelMPI binary has been made compatible with the Cray XC series. We encourage users to download our latest stable subrelease, ADF2016.103 to get the best user’s experience. As always, we encourage any feed-back, in particular about any problems you may encounter.

Research highlights

A small selection of recently published papers using ADF. Contact us if you have a recent paper which would be worthwhile highlighting on our website.

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