Latest News

Discuss computational chemical engineering at WCCE10

Ole and Nick will represent SCM at the 10th World Congress of Chemical Engineering, held in Barcelona from 1-5 October. At the SCM booth at the Expoquimia (2-6 October) they will happily demo ReaxFF for studying...

Benchmark: density functionals and settings for band gaps

Jetsabel Figueroa, MSc. student in the OptoElectronics group at the TU Delft, benchmarked band gap calculations with BAND. During her internship with SCM she made use of the python scripting tool PLAMS to determine the...

Developers Tomáš Trnka (ReaxFF) and Nick Austin (COSMO-RS) join SCM

The SCM team is very pleased to welcome Dr. Tomáš Trnka and Dr. Nick Austin per 1 September 2017, as Horizon 2020 SME innovation associates. Tomáš is finalizing his PhD in biomolecular chemistry with Prof....

Symposium in Honor of Roald Hoffmann

The Chemical Bonding and Reactivity Spanning the Periodic Table symposium celebrated Prof. Roald Hoffmann‘s 80th birthday. At the 254th ACS fall meeting in Washington DC around 75 collaborators, friends and academic offspring gathered to tell...

Materials Modeling Webinar

Materials Modeling with ADF 7 September, 2-3.30pm Indian Standard Time (10.30am-noon CEST) – Fedor Material properties are ultimately determined at the atomistic level. The ADF Modeling Suite provides a user-friendly, powerful set of computational chemistry...

ADF in Action at EUCO-TCC

Enjoy the beautiful courtyard at IEC during your coffee break at the 11EUCO-TCC? Why not have a chat with Ole at the SCM booth about your research at the SCM booth? Ole will happily demonstrate...

See ADF in action at the ACS Washington

The ACS fall meeting 2017 is held August 20-24 in Washington, DC. Come to booth 1110 at the expo to see ADF in action and discuss how ADF can aid your research projects! This is...

Chemistry with ADF cited 5000 times

The “Chemistry with ADF” paper from 2001, the main citation for ADF, has been cited over 5000 times. Looking at the scientific categories and journal papers, ADF is most often used for inorganic, physical and general...

SCM closed Ascension day, Pentecost (Whit Mon)

The SCM offices will be closed on 25+26 May and 5 June 2017. So unfortunately we will not to be able to respond to support requests during those days. We will try to help you...

Thesis: Carbon materials for Solar Energy Conversion

Many congratulations to Dr. Juan Pablo Martínez López, who successfully defended his thesis on May 17th, entitled “Reactivity of Fullerenes, Endohedral Metallofullerenes, and Nanotubes, and their Possible Application in Solar Energy Conversion”. With Matthias Bickelhaupt and...