Amsterdam Modeling Suite workshops

Hands-on computational chemistry + HPC with SURF

On 10 February SURF will host (registration page) a hands-on Amsterdam Modeling Suite workshop. We will start in the morning with running small jobs on your local laptop and desktop before we will learn how (and when not!) to leverage SURF’s high-performance computing facilities. Remco Havenith will discuss and demonstrate a real-life case study of running (TD)DFT calculations with ADF on SURF’s supercomputers.

Hands-on computational chemistry workshop for TU Delft

On 21 + 22 January 2021, there will be a hands-on online workshop for all students and employees of the TU Delft. The SCM team will introduce all the modules and basic calculations and analysis on the first day, followed by more advanced application cases on the second day.

Future workshops notifications and requests

Let us know if you would like to have a specific or general workshop at your University or Institute! We gladly adapt the schedule and suggested exercises according to the interest of the participants. Subscribe below for notifications on upcoming workshops.

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Workshop exercises

After an introduction and  short demo, we usually let participants choose from basic and advanced exercises. We also have excellent teaching materials available.

Workshop programs

Example schedule for a 1-day workshop:

09.30-10.30: Introduction and overview of the Amsterdam Modeling Suite
10.30-12.00: Getting started: building molecules, basic calculations
12.00-13.00: Lunch
13.00-17.00: Advanced exercises, further discussions

Previous workshops

  • 4-26 September: virtual, online workshop with self-learning for India
  • 23-27 March (cancelled): theory + hands-on MD, force field fitting, machine learning
  • Online workshop (2*2.5 hours) hands-on introduction to the Amsterdam Modeling Suite. (20 February 2020)
  • 1-day workshop Singapore (21 June 2019, A*STAR IHPC, Thomas)
  • 1-day workshop Seoul (29 May 2019, Fedor, intro slides, hands on morning, afternoon)
  • Half-day workshop NTU, Taipei (22 May 2019, Fedor)
  • 1-day workshop Penn State (29 March 2019, Fedor)
  • 1-day workshop, TU/Eindhoven (10 January 2019, Alexei & Mirko)
  • 2-day advanced ReaxFF workshop Tokyo (1+2 November 2018, Fedor, slides)
  • 1-day ReaxFF parameterization workshop Osaka (30 October 2018, Fedor, slides)
  • 2-day workshop Beijing (22+23 October) and Dalian (24+25 October) by Fedor (slides day 1 &  day 2)
  • 1-day workshop, Daejeon (9 February 2018, Fedor)
  • 2-day workshop, Almaty (21-22 September 2017, Alexei)
  • 1-day workshop, IDRIS, Orsay, (30 June 2017, Ole)
  • Half-day workshop, SHARCNET, Waterloo, Canada (12 June 2017, Thomas)
  • Half-day workshop, HPCS2017, Kingston (6 June 2017, Thomas)
  • 2-day workshops in China, (Xiamen 16-17, Shanghai 19-20 May, Fedor). See slides 
  • One-day workshop CSC training facilities in Espoo (3 May 2017, Ole)
  • 1-day hands on workshop, TU Dresden (27 March 2017, Mirko & Thomas)
  • 2-day hands-on ReaxFF workshop, London (27+28 September 2016)
  • 1-day hands-on workshop A*CRC, Singapore (8 July 2016)
  • 1-day hands-on workshop NCHC, Hsinchu, Taiwan (1 July 2016)
  • 1-week ADF workshop (TCCM) at VU Amsterdam (18-22 April 2016)
  • 1-day ADF workshop at the CASCaM, UNT (21 March 2014)
  • 2-day ADF+ReaxFF NSCCS workshop (8+9 April 2014)
  • 1-day ADF workshop at the Universität Ulm (22 September 2014)
  • 1-day ADF workshop at the Ludwig-Maximilians-Universität (23 September 2014)
  • 1-day ADF workshop at Hong Kong University (12 May 2015)
  • 1-day ADF workshop at the National Supercomputing Center in Shenzhen (13 May 2015)
  • 1-day ADF workshop at Tsinghua University (16 May 2015)
  • 1-day ADF workshop at George Washington University (12 August 2015)

Workshop materials from collaborations

Please credit the authors if you (re-)use their workshop materials. You can also have a look at the teaching materials and webinars.

Specialized Webinars by expert users and developers:

These cover advanced topics such as electronic couplings, QM/MM, DIM/QM for SERS, ETS-NOCV for chemical bonding analysis. On the webinar page you can register for upcoming presentations, or play back previous ones.