Skip to main content Accessibility information

We use cookies to distinguish you from other users and to provide you with a better experience on our websites. Close this message to accept cookies or find out how to manage your cookie settings. Learn more about our Privacy Notice... [opens in a new tab]

What is Cambridge Open Engage?

How to Submit

News [opens in a new tab]

Search

Refine Search

Categories

Energy

(1)

Materials Chemistry

(1)

Materials Science

(1)

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(2)

Published Date

Last 3 years

(2)

Last 12 months

(1)

Last 6 months

(1)

Last 3 months

(1)

Last month

(1)

Last week

(1)

Keywords

Loading...

keywords

Ab initio molecular dynamics (AIMD)

Authors

2 results in Keywords: Ab initio molecular dynamics (AIMD)

Sort by

Category: Materials Chemistry

Jahn-Teller distortions and phase transitions in LiNiO2: Insights from ab initio molecular dynamics and variable-temperature X-ray diffraction

, Authors: Annalena R. Genreith-Schriever, Alexandra Alexiu, George S. Phillips, Chloe S. Coates, Liam A. V. Nagle-Cocco, Joshua D. Bocarsly, Farheen N. Sayed, Siân E. Dutton, Clare P. Grey

Version 1 posted 13 December 2023

639

Downloads

2

Citations

Category: Materials Science

Computational Insights into the Corrosion Behavior of NbMoTaW and NbMoTaWV High-Entropy Alloys in Molten Fluoride Salts

, Authors: Agnes Britte Katai, Arjun Varma Ramasimha Varma, Conrard Giresse TETSASSI FEUGMO

Version 1 posted 26 June 2025

11

Downloads

News [opens in a new tab]

Technology Provided By

ISSN 2573-2293 (Online) ChemRxiv Archive

Contact and Help

1.0.2741