Going to the ACS fall meeting in Chicago? Come check out presentations by Fedor Goumans, Nestor Aguirre, and new SCM employee Arno Förster. Also come grab a stroopwafel and discuss your research with us at...
We are happy to introduce our latest colleague: Arno. Arno will soon finish his Ph.D. on correlated methods (double hybrids, GW, RPA, BSE) in ADF with Prof. Luuk Visscher at the VU University in Amsterdam....
In this last video tip of the week before a longer break, Ole shows how to calculate radial distribution functions from within AMSmovie. More trajectory analysis is found in the according section of the AMS...
We are glad to welcome our new colleagues to the SCM team: thermodynamics expert Dr. Wei-Lin Chen & machine learning expert Dr. Paul Spiering! As always, we are happy to hear your feedback on how...
If you are going to Nanotexnology 2022, make sure to see Thomas Soini’s talk on OLED modeling with AMS (and some results for multiscale modeling with Simbeyond). He’s presentation is at 7pm in Timber hall...
In this 15th video tip of the week, Ole compares experimental and simulated NMR spectra with AMSspectra. The video is based on the ADF tutorial H-NMR with spin-spin coupling.
Going to WATOC 2020 in Vancouver, 3-7 July 2022? Come grab a stroopwafel at booth 116, and discuss collaboration options, research applications, or computational chemistry in general with our CEO Stan van Gisbergen and software...
We hope you will find the new computational chemistry course by Amanda Morgenstern from UCCS useful for your own classes. The assignments are available as pdf from the links below. Answer keys can be requested from Amanda....
In this 14th video tip of the week, Ole demonstrates how easy AMSlevels can visualize the results of a DFTB calculation with atomic or molecular fragments.
Congratulations to Prof. Christopher Rowley of Carleton University! Chris received the Tom Ziegler award for outstanding early-career contributions to computational chemistry.