News Archive

31 January 2013	PhD (EID) position available for EU project propagate
12 January 2013	ADF2012.01d subrelase
22 December 2012	Thesis Verzijl: NEGF in BAND
20 December 2012	Christmas break 2012
17 December 2012	You Lu joins SCM
15 November 2012	Hans van Schoot joins SCM
4 October 2012	SCM participates in two new EU projects
4 October 2012	October 2012.01 Newsletter
2 October 2012	ADF 2012.01c subrelease
22 August 2012	ADF workshops in October
22 August 2012	ADF seminars in September
20 August 2012	ADF at TACC2012, Pavia
26 July 2012	3 European Industrial Doctorates sought for EU FP7 project
2 July 2012	Wasatch represents ADF at ACS Philadelphia meeting
25 June 2012	Bachelor Teaching Exercises online
15 June 2012	Young ADF developers awarded
7 June 2012	SCM at ICTAC-14, Vlissingen
4 April 2012	SCM Newsletter Spring 2012
21 March 2012	ADF2012.01a subrelease
7 February 2012	ADF2012 Seminars in the US in March 2012
January 31, 2012	ADF2012 released
January 30, 2012	SCM at ACS Spring San Diego, March 25-27
December 15, 2011	Christmas break 2011
December 12, 2011	J.S. Seldenthuis PhD thesis
October 19, 2011	SCM at Fall MRS meeting in Boston
October 19, 2011	SCM at NPS11 meeting in Arnhem
October 5, 2011	ADF workshop before Quitel
September 6, 2011	Summer SCM Newsletter Available
August 26, 2011	ADF at DFT2011 Conference, August 29 - September 2 in Athens, Greece
August 16, 2011	N3 dye for Dye-Sensitized Solar Cells (DSSCs) modeled
August 9, 2011	NMR of a Lead - Platinum superatom
July 14, 2011	ADF at WATOC conference, July 17-22, Santiago de Compostela, Spain
June 23, 2011	Presentations at Northwestern University, The University of Michigan and Carnegie Mellon University
June 16, 2011	Publication: Modeling the hydrogen bonds, pi-stacking and solvent effects in DNA
May 16, 2011	ADF lecture at University College Dublin
May 4, 2011	Virtual Workshop with Austrialian NCI NF
April 28, 2011	Spring SCM Newsletter Available
April 12, 2011	New release of DGrid
March 24, 2011	SCM Workshop at San Diego Supercomputer Center
March 17, 2011	Publication: Quantitative AFM with CO-terminated tips
February 28, 2011	Publication: Relativistic effects up the voltage in batteries
February 17, 2011	ADF at APS and ACS meetings in March 2011
February 8, 2011	SCM Workshops in England: 14-16 February 2011
January 7, 2011	All-Electric Single-Molecule Motor modeled with ADF
December 9, 2010	ADF2010.02 released: ReaxFF and MOPAC2009
December 1, 2010	ADF at Pacifichem 2010
November 9, 2010	ADF workshop with SARA follow-up
October 12, 2010	QUASINANO project started
October 1, 2010	Dr. Stefano Borini joins SCM
September 29, 2010	ADF2010 released
September 28, 2010	ADF workshop Beijing
September 23, 2010	ADF workshop with SARA
September 15, 2010	ADF2010 seminar in Tokyo
August 3, 2010	ADF at ACS meeting in August 2010
July 29, 2010	ADF-GUI tutorial videos
June 1, 2010	ADIIS implemented in ADF
May 26, 2010	Grimme's DFT-D3 Functionals in ADF and BAND
May 18, 2010	BAND Speed-up
May 12, 2010	CRS-GUI tutorial videos
March 10, 2010	BAND-GUI tutorial videos
February 5, 2010	SCM Demo videos
January 22, 2010	ADF at APS and ACS meetings in March 2010
December 22, 2009	ADF2009.01b released
December 18, 2009	Case study on OLED modeling with ADF
December 14, 2009	Vidi grant awarded to Johannes Neugebauer
December 3, 2009	Publication: Lithium - Ammonia solution modeled at the molecular level
November 27, 2009	2010 Schrödinger Medal awarded to E.J. Baerends
September 30, 2009	ADF2009 released
August 24, 2009	Dr. Marcel Swart appointed ICREA Research Professor
August 19, 2009	SCM at DFT2009, 31 August - 4 September
August 6, 2009	Special Issue of Can. J. Chem.: Tom Ziegler
July 2, 2009	ADF 2009 Preview
June 11, 2009	Publication: Modeling Ditopic ion-pair receptors with ADF and QUILD
June 8, 2009	SCM at ICQC, 22-27 June
May 15, 2009	Publication: Modeling the 32 Electron Rule for Heavy Element Compounds
April 21, 2009	SCM at NOTUR2009, 18 May
April 20, 2009	Publication: A 120 atom tetrahedral silver cluster modeled with ADF
March 3, 2009	Publication: The First Dodecavalent Molybdenum Complex studied with ADF
February 12, 2009	SCM at ACS Spring meeting Salt Lake City, 22-28 March
February 12, 2009	Dr. Kundrat joins SCM
February 9, 2009	ADF overview in Japanese
February 9, 2009	Restyled SCM web site
December 22, 2008	Christmas break at SCM
November 24, 2008	Contributed software: PyFrag - Streamlining your reaction path analysis
November 4, 2008	Ph.D. thesis Patrícia Bento: Nucleophilic Substitution Reactions
October 10, 2008	ADF2008 presentation at Fujitsu seminar Cambridge (UK) October 30
September 22, 2008	ADF2008 released
September 11, 2008	ADF at Fujitsu seminar Tokyo October 2nd
September 11, 2008	Ryoka ADF2008 seminar Tokyo September 30th
September 9, 2008	ADF2008 seminar Shanghai evening before TACC
September 4, 2008	Future continuity SCM arranged
August 8, 2008	ADF2008: ultrafast Bader AIM implementation
July 17, 2008	ADF2008 workshop in Sydney, September 13, before WATOC
July 14, 2008	Publication: Slaters beat Gaussians for Fe-complexes
June 18, 2008	COSMO-RS module in ADF2007 released
June 4, 2008	Free utilities to read/write KF-files
June 4, 2008	ADF development snapshots released
June 2, 2008	Ph.D. thesis Simon Pierrefixe: Hypervalence and Aromaticity
May 27, 2008	Ph.D. thesis Manuel Louwerse: Computational Modeling of Oxidation Catalysis
April 24, 2008	Holiday break SCM, 30 April - 5 May
April 18, 2008	Dr. Pelmenschikov joins SCM's scientific staff
March 26, 2008	ADF workshop at CINECA, Bologna, April 16
March 17, 2008	ADF at ACS meeting, New Orleans, April 6-10
January 8, 2008	ADF workshop in Barcelona, February 25-26
December 20, 2007	Ph.D. thesis Dr. Jacob on frozen-density embedding
December 18, 2007	Christmas break SCM
September 18, 2007	Job opening for computational chemist as Technical Writer / Scientific Support staff member
August 21, 2007	ADF2007 released
June 4, 2007	ADF at DFT2007 in Amsterdam
May 25, 2007	ADF workshop in London
April 27, 2007	Ph.D. thesis Dr. de Jong on catalytic bond activation
February 23, 2007	Improved interface SNF (vibrational spectra) to ADF
February 5, 2007	ADF at DPG meeting Germany
December 20, 2006	Christmas break
December 18, 2006	ADF Performance on PQS QuantumCube
December 18, 2006	ADF2006 for Cray XD1 and IBM LoP
December 18, 2006	HP-MPI Supported in ADF2006
December 14, 2006	ADF at DFT2007 in Amsterdam
December 1, 2006	HP white paper: parallel ADF performance on HP clusters
November 7, 2006	BAND optimization projects
November 6, 2006	ADF on Intel Mac
October 31, 2006	New ADF brochure available
October 17, 2006	Ph.D. theses on TDDFT for periodic systems and on solvated actinides
October 2, 2006	ADF workshop Dortmund, October 10
September 20, 2006	Bug fix version ADF2006.01b released
Aug. 22, 2006	USA tour for ADF: ACS meeting, Stanford, Northwestern, ...
July 4, 2006	ADF2006 released
May 31, 2006	ADF2006 preview in Japan and Korea
March 1, 2006	SCM forums introduced for user discussions
February 28, 2006	Dr. Philipsen joins SCM for BAND development
February 28, 2006	ADF reviewed in JACS and Nachrichten aus Chemie
February 28, 2006	ADF at ACS Spring meeting Atlanta, 26-30 March
January 18, 2006	Prof. Baerends and Ziegler among most-cited chemists
January 18, 2006	WATOC's Dirac medal to Dr. Visscher
January 18, 2006	Prestigious VICI grant to Dr. Visscher
December 22, 2005	ADF Newsletter December 2005 available
December 20, 2005	Christmas break
October 18, 2005	ADF at Pacifichem conference
October 17, 2005	Bug fix version ADF2005.01b released
August 26, 2005	ADF2005 released!
August 19, 2005	ADF2005 seminar in Philadelphia on Friday September 2nd
July 28, 2005	ADF2005 workshop at ACS meeting in Washington
July 28, 2005	ADF2005 conference tour: Washington, Geneva, Guilin, Honolulu
July 28, 2005	NMR bug found in ADF2004
April 4, 2005	NMR workshop at EUROMAR Veldhoven, the Netherlands, 3-8 July, 2005.
April 4, 2005	Ph.D. thesis Meta van Faassen on Time-dependent current DFT
March 2, 2005	Tungsten NMR spin-spin couplings
February 16, 2005	New release ADF-GUI modules
February 15, 2005	Why cooked lobsters turn red
February 11, 2005	ADF at ACS Spring meeting San Diego, 13-17 March, 2005.
February 2, 2005	ADF Newsletter February 2005 available
Jan. 26, 2005	ADF supports find nitrogen-centered radical compound
Jan. 11, 2005	ADF at WATOC conference
Dec. 20, 2004	Christmas break SCM starts Dec. 24th.
Nov. 2, 2004	Improved ADF2004.01 for Mac OS X
Sept. 27, 2004	Very fast Intel Nocona and AMD Opteron versions ready!
Sept. 27, 2004	Fujitsu PrimePower supported for ADF2004.01
Sept. 23, 2004	ADFview and ADFmovie 2004.02 beta version available
July 6, 2004	SUN version ADF2004 available
July 2, 2004	ADF Newsletter June 2004 available
June 17, 2004	ADF2004.01 update
May 24, 2004	ADF2004.01 released!
May 17, 2004	Prof. Baerends member of Academy of Science
Mar. 26, 2004	ADF Newsletter March 2004 available
Mar. 10, 2004	Ph.D. thesis Dr. Jensen on optical properties of nanostructures
Mar. 8, 2004	ADF seminars in California, March-April 2004
Mar. 8, 2004	ADF at ACS meeting Anaheim, CA, March 2004
Mar. 8, 2004	ADF2003 available on Fujitsu PrimePower
Dec. 23, 2003	Emergency ADF license file available during Christmas & New Year break
Dec. 20, 2003	Christmas & New Year break at SCM from Dec. 24th - Jan. 4th
Dec. 18, 2003	Job opening for Scientific Software Developer
Nov. 7, 2003	Ph.D. thesis M. Grüning on improved xc functionals available
Sept. 4, 2003	ADF2003.01 now available on SGI Altix (Itanium2 with Linux)
Aug. 29, 2003	ADF at DFT2003 conference in Brussels, 7-12 Sept., 2003
Aug. 29, 2003	ADF at national ACS meeting in New York, 8-10 Sept., 2003
Aug. 29, 2003	ADF2003.01 now available on HP AlphaServerSC with MPI
Aug. 18, 2003	Sad news about Prof. Dr. J.G. Snijders
July 2, 2003	ADF paper: Optimized Slater-type basis sets for the elements 1-118
Mar. 25, 2003	ADFinput2003.01a version released: bug fixes for ADFinput (only)
Mar. 19, 2003	ADF2003.01 version released: GUI and HP Itanium2 support
Mar. 5, 2003	Download the SCM Newsletter of March 2003
Mar. 5, 2003	ADF lecture series in Japan, May 26-30, 2003
Mar. 5, 2003	ADF at national ACS meeting New Orleans, March 24-26, 2003
Mar. 5, 2003	ADF Science papers: Actinide-Noble Gas Complexes and Au₂₀
Feb. 14, 2003	ADF at Sanibel Symposium 2003
Jan. 2, 2003	PDF documentation for ADF2002.03 available
Dec. 20, 2002	ADF2002.03 version released
Dec. 18, 2002	Analytic second derivatives and NMR optimization project.
Dec. 18, 2002	Christmas break and license files.
Dec. 17, 2002	Conference announcement: Quantum Inorganic Chemistry, York, UK (April 2003)
Nov. 14, 2002	ADF without I/O: SCM advice on ADF performance improvement
Sept. 17, 2002	DGrid and Basin programs contributed These density analysis programs read ADF result files and are freely available from Dr. Kohout.
Sept. 10, 2002	Congratulations to Marcel Swart on his Ph.D. thesis "Density Functional Theory Applied to Copper Proteins"
August 6, 2002	pdb2adf utility available (generate QMMM input from a PDF file)
August 6, 2002	ADF2002.02: for Sun Solaris
August 6, 2002	ADF2002.02: add PVM version for SGI IRIX64 6.5 (so MPI, PVM and serial versions available)
July 24, 2002	ADF2002.02 for Windows (98, NT, 2000)
July 17, 2002	ADF2002.02 for Macintosh OS X
July 10, 2002	ADF2002.02 version available, including ADFview visualization tool and simplified densf utility
August 4-9, 2002	Meet us at the WATOC '02 conference in Lugano, Switzerland
June 6, 2002	ADF 2002.01 IBM MPI version available
May 8, 2002	ADF 2002.01 Macintosh OS X version available
April 23, 2002	Full color brochure on ADF, BAND and ADF-GUI
April 19, 2002	ADF User's Guide updated: now all index entries available as bookmarks
April 18, 2002	ADF 2002.01 Sun version available
April 3, 2002	ADF User's Guide updated: Bookmarks included
April 1, 2002	Dr. Erik van Lenthe joins SCM team
April 2002	Meet us at the Spring ACS expo in Orlando
March 2002	Start of SCM news archive