Which ReaxFF parameters should I use? In this video tip of the week, Ole shows how the ParAMS module in AMS2023 can be used to quickly compare the perfomance of existing ReaxFF parametersets for a...
Maria and Fedor are looking forward to hearing all about your research at the MRS meeting in San Francisco, 11-13 April. Find us at the exhibition in booth 312. Maybe we can give you a...
Nicolas and Fedor are looking forward to hearing all about your research at the ACS meeting in Indianapolis, 26-30 March. Find us at the exhibition in booth 705. Maybe we can give you a sneak...
Are you developing new materials and attending the APS March meeting in Vegas? Come and discuss your research with Fedor at booth 1062 at the exhibition, March 7-9. Let’s discuss how you can predict material...
In the present era, the contamination of air due to the presence of substances in the atmosphere represents a global issue. According to the World Health Organization (WHO), millions of people die every year because almost half...
Graphitic electrode materials are central to Li-ion battery technology because of their high electron conductivity, high surface area for Li intercalation, and thermal and chemical stability. Li-intercalated graphite has large specific capacity that can be...
In this video tip of the week, Ole demonstrates how easily the work function can be calculated with our periodic DFT code BAND due to the support of true 2D-periodicity. A step-by-step version of the...
Gain inside into the modeling concepts behind a fully atomistic simulation of chemical vapor deposition. A new step-by-step ReaxFF tutorial shows how acceleration methods combine with the molecule gun/sink to simulate chemical vapor / atomic...
Managing temperatures is essential for the lifetime and performance of many materials and their devices. Two main applications include electronic devices and spacecraft. Covalent organic frameworks (COFs) are crystalline porous polymers, with tunable properties such...
Drop by booth 1008 at the MRS fall meeting in Boston to grab a stroopwafel and talk to Fedor about your materials research & development challenges! If you develop batteries, polymers, catalysts, OLEDs, or other...