At the TechConnect World meeting in Washington, Nicolas will discuss how to accelerate the computational design of materials and processes with machine learning, discussing applications for batteries, catalysis, and OLEDs. He’ll be happy to learn...
Join our next FREE webinar in our Spring Webinar series 2023 on Thursday 22nd June, at 15:00h CEST, with Professor Jochen Autschbach, to learn about NMR shielding, J-coupling and EFG analysis with NBOs. Presenter: Jochen...
In this video tip of the week Ole shows how simulate the friction coefficient of two quartz surfaces sliding against each other with the help of non-equilibrium molecular dynamics. The input file is available for...
Simbeyond and SCM are happy to continue their collaboration on Multiscale simulation for Organic Light Emitting Diodes (OLEDs): from molecule to device. In a new project, Multi-Exciton, we will jointly work on including optical processes...
Join our next FREE webinar in our Spring Webinar series 2023 on Wednesday 14th June, at 15:00h CEST, with University Distinguished Professor at Kansas State University Christine Aikens, and Dr. Shana Havenridge, Postdoctoral Appointee at...
In this video tip of the week Ole shows how to simulate the phase transition from graphite to diamond by optimizing the geometry under a non-uniform external stress tensor. The guI input file for the...
As part of the Scottish Computational Chemistry Symposium 2023, we’ll organize a hands-on workshop at the University of Glasgow on 19 June. You will learn hands on how to use the Amsterdam Modeling Suite with...
Join our next FREE webinar in our Spring Webinar series 2023 with SCM’s founder Professor Evert Jan Baerends! This is a unique opportunity to deepen your knowledge about computational chemistry and some of the theory...
This week SCM is hosting Hector Prats from Stamatakis Research Group at University College London! He is involved in the ReaxPro project and is visiting us to learn and explore all the tools included in...
In this video tip of the week Ole shows how to use the ANI-2x machine learning potential to calculate the Elastic Tensor and mechanical properties of Kevlar. The input file for the calculation is available...