In this video tip of the week, Ole shows how to accelerate a low temperature pyrolisis simulation into the timescale of seconds with collective variable-driven hyperdynamics (CVHD). The results can then be analyzed with the...
Our expert in multiscale modeling for catalysis, Dr. Nestor Aguirre, will give a talk next week at the IPAM Spring Workshop III in Los Angeles, titled “Revolutionizing Catalysis Industry through Automated Multiscale Modeling and Active...
The SCM team proudly announce our new AMS2023 release, with many new features and improvements! With the new M3GNet universal graph neural network potential, you can explore the potential energy surface (PES) and run molecular...
The diffusion coefficient follows an Arrhenius behavior with respect to the temperature. In this video, we show how to calculate and visualize the prefactor D0 and barrier ΔE with the help of a PLAMS workflow...
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...
SCM’s expert Erik van Lenthe demonstrates how to calculate X-ray absorption spectra with ADF. Erik walks you through the simulation of core excitations with ADF, including spin-orbit coupling, TDDFT and the fast transition potential method....
In this video tip of the week, Ole shows how to automatically obtain elementary reactions and rate constants from reactive MD trajectories. The video is based on the step-by-step tutorial Detecting reactions from MD trajectories.
Join live at Purdue, or login remotely for a seminar by Nicolas giving an overview of the Amsterdam Modeling Suite capabilities on March 30th, hosted by nanoHUB.
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...