Highlights with ‘batteries’

Video: LiS battery discharge profiles with ReaxFF-GCMC

Check out the latest advanced tutorial video by Ole on modeling the battery discharge process. The discharge process of a LiS battery is simulated using ReaxFF in a Grand Canonical Monte Carlo scheme. Volume changes...

New organic electrolytes for aqueous redox flow batteries by molecular design

In a recent Science paper, PNNL researchers show that by judiciously designing fluorenone derivatives, the reoxidation of the reduced fluorenol can be achieved reversibly in an aqueous redox flow battery. The combined experimental and computational...

SiC as anode material for sodium ion batteries – a DFT study

Rechargeable sodium-ion batteries (NIB) are similar in function to the widely used lithium-ion batteries (LIB), however, NIBs are comparatively cheaper, safer and use the more abundant Na+ as charge carrier. Battery performance strongly depends on...

Solid electrolyte interface formation in lithium-ion batteries with ReaxFF

Lithium-ion batteries (LIBs) are widely used in most portable chargeable electronics, such as laptops and cell phones, but also in electric vehicles. An essential part of LIBs is the solid electrolyte interface (SEI) which is...

SCM at Physics@Veldhoven

Going to the Physics@Veldhoven meeting? Don’t miss the SCM table at the “sponsorplein” (Meijerij Foyer) or make a speed date appointment (Limburg Foyer) for Wednesday 22nd! Stan and Mirko would love to discuss how the Amsterdam...

SCM at the F19MRS in Boston

Going to the 2019 MRS fall meeting 1-5 December 2019? Check out Matti’s talk on Machine Learning potentials for next generation materials modeling -his EU project MaLeR– on 3 December, 9.45am at Hynes 210. Thomas...

SCM at IDTechEx Show

Going to the IDTechEx Show in Santa Clara, 20-21 November, to learn about the latest emerging technologies? Fedor would be delighted to discuss your challenges and see where the Amsterdam Modeling Suite could help you...

SCM at AIChE, Orlando

Come and talk to Nick about your chemical engineering challenges at the annual AIChE meeting mid-November in Orlando. At the SCM booth (#143) he’ll be happy to discuss how the COSMO-RS module in the Amsterdam...

Webinar: Bridging Computations and Real-World Examples

Thomas gave an overview of the Amsterdam Modeling Suite for the Latin American theoretical chemistry community. With applications to organic electronics, batteries and polymers. Watch it back on youtube!

Screening industrial polymers for lithium–ion batteries electrode materials

Organic polymers are promising electrode materials for lithium ion batteries due to their low solubility, low self-discharge rates, high mechanical strength, great flexibility, superior thermal stability, and versatility. A recent study virtually screens industrial polymers...