Going to the American Chemical Society fall meeting in Boston?
Fedor would love to talk to you about which keeps you busy scientifically! SCM will be at the expo at booth 1119 (Sun 5.30-7.30 pm, Mon & Tue 9am-5pm).
On Tuesday morning, Fedor will present some of the new and upcoming features inside the ReaxFF for combustion chemistry from our collaborators and developers (see abstract). These new event detection and acceleration capabilities will also be useful for other areas of chemistry & materials science.
There are also many other new interesting improvements which will be released later this year in our 2018 version. Come and get a sneak preview of our new Amsterdam Modeling Suite (AMS), providing a great driver for geometry optimization, molecular dynamics etc. with various compute engines. You’ll also like the new capabilities for fluid thermodynamics inside the COSMO-RS module!
Key conceptsCOSMO-RS ReaxFF tips & tricks