Computational high‐pressure chemistry: Ab initio simulations of atoms, molecules, and extended materials in the gigapascal regime

F Zeller, CM Hsieh, W Dononelli… - Wiley Interdisciplinary …, 2024 - Wiley Online Library
The field of liquid‐phase and solid‐state high‐pressure chemistry has exploded since the
advent of the diamond anvil cell, an experimental technique that allows the application of …

Computational High-Pressure Chemistry: Ab Initio Simulations of Atoms, Molecules and Extended Materials in the Gigapascal Regime

F Zeller, CM Hsieh, W Dononelli, T Neudecker - 2023 - chemrxiv.org
The field of liquid-phase and solid-state high-pressure chemistry has exploded since the
advent of the diamond anvil cell, an experimental technique that allows the application of …

[PDF][PDF] Current developments and trends in quantum crystallography

A Krawczuk, A Genoni - Acta Crystallographica Section B …, 2024 - journals.iucr.org
This article is part of a collection of articles from the IUCr 2023 Congress in Melbourne,
Australia, and commemorates the 75th anniversary of the IUCr. The article is also included …