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.
Amsterdam Modeling Suite Seminar for nanoHUB 30 March 2023
24 March 2023
Discuss your chemistry research at the ACS Spring meeting
24 March 2023
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...
Reductive Coupling of Nitric Oxide by Cu(I)
23 March 2023
Nitric oxide (NO(g)) plays a ubiquitous role as a signaling molecule and strengthens the mammalian host defense response by effecting oxidative destruction of harmful pathogen biomolecules (i.e., by oxidation and/or nitration). Toxic overproduction of NO(g) and reactive NOx products such as...
XPS: Predicting core Ionization Potentials with ADF (video tip of the week, new tutorial)
22 March 2023
In this video tip of the week, Ole demonstrates how to calculate core Ionization Potentials as probed in X-ray photoemission spectroscopy. The video is based on the new step-by-step tutorial Core Ionization Potentials (XPS) of...
Photonically active bowtie nanoassemblies with chirality continuum
21 March 2023
In a recent study published in the journal Nature, Dr. Prashant Kumar, in the group of Prof. Kotov at the University of Michigan (USA), reports on bowtie nanostructured microparticles with a chemical structure displaying chirality...
Electronic structure and magneto-structural correlation study of Cu2UL
6 March 2023
Inorganic complexes made of actinide elements are attracting interest, both from experimental and theoretical sides, due to their many potential applications in catalysis, magnetic cooling materials, and notably as high spin molecules, which could behave...
Discuss your materials research at the APS March meeting
1 March 2023
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...
Hands-on Workshop German National High Performance Computing Center / Atomistic Simulation Center, 22 March
14 February 2023
Together with the Atomistic Simulation Center (ASC) we will teach you how to use the Amsterdam Modeling Suite locally and run simulations on the German HPC Center (NRC). The hands-on workshop will take place on...
Gas sensing properties of Fe-decorated monolayer Antimonene
6 February 2023
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...
Effects of relativity on superheavy dimers
3 February 2023
Relativistic effects play important roles in the properties of superheavy element dimers. Because no experiment has been performed so far on a system with more than one superheavy atom simultaneously, computational studies are presently the...