Highlights with ‘materials science’

SCM at Materials Science Mega Webinar

At the Materials Science Mega Webinar, Nicolas will discuss how atomistic and multiscale simulations with the Amsterdam Modeling Suite can accelerate the discovery of new, improved materials. Tune in on Wed 10 April to hear...

Discuss your Chemistry Research at the ACS Spring Meeting 2024

Nestor and Fedor looking forward to hearing all about your research at the ACS spring meeting in New Orleans. Find us at the exhibition in booth 2828 and come talk to us to learn what...

Discuss your Battery Research & Development at InterBattery Korea

The Dutch embassy in Korea hosts a stand at InterBattery (B401, Hall B COEX) where Fedor will represent SCM and will be happy to discuss how atomistic and multiscale simulations can help you understand battery...

Discuss your Materials Research Challenges at TMS2024

Come and talk about your materials challenges with Nicolas at the TMS meeting in Orlando. He would be happy to discuss how simulations could accelerate your discovery of new materials or optimize your processes. Exhibit...

Improving Hydrogen Evolution by Mn Doping MoS2 Nanosheets: DFT QTAIM analysis

In a recent combined experimental and theoretical paper, periodic DFT calculations and Bader’s QTAIM analysis explain, at the atomistic level, the enhancement of the performance of MoS2 2D material for the hydrogen evolution reaction (HER),...

Concentration dependent Li migration barriers in LiTiS2 with M3GNET (video tip of the week)

In this video tip of the week we take a look at Li migration barriers inside a crystal structure with the fast and accuratue M3GNET machine learning potential. The video is based on a new...

Discuss your Materials Research Challenges at the MRS Fall Meeting

Come and talk about your materials challenges with Fedor and Nicolas at the MRS while enjoying a Dutch caramel waffle, stroopwafel, at booth 719 at the MRS exhibition. We love to discuss how we can...

Li ion reduction at the graphene surface with eReaxFF (video tip of the week)

In this video tip of the week we use eReaxFF to simulate the dynamics of explicit Li ion reduction at a graphene surface. These state-of-the-art simulations bring us a step closer to modeling an entire...

The right band gaps for the right reason at low computational cost with a Meta-GGA

For the discovery of new materials, accurate and fast prediction of the band gap is often important. However, the density functionals that allow for the fastest calculations, LDA and GGA, systematically underestimate the band gap....

Fast and accurate Li intercalation potentials in layered cathodes with machine learning potentials (video tip of the week)

In this video tip of the week, Ole demonstrates how the machine learning potential M3GNET can be used to screen layered cathode materials for their Li intercalation potentials, fast and accurate. The input files for...