[HTML][HTML] Shock temperature of liquid nitrogen under pressure using a combination of multi-channel pyrometer and Doppler pin system

F Zhuo-Ning, AM Sabeeh, FS Liu, QJ Liu - Physics Letters A, 2024 - Elsevier
A comprehensive understanding of the phase transitions and physical properties of diatomic
molecules under extreme pressures and temperatures is necessary. Utilizing a Doppler pin …

First-principles molecular dynamics of exciton-driven initial stage of plasma phase transition in warm dense molecular nitrogen

ID Fedorov, VV Stegailov - The Journal of Chemical Physics, 2024 - pubs.aip.org
Understanding the properties of molecular nitrogen N 2 at extreme conditions is the
fundamental problem for atomistic theory and the important benchmark for the capabilities of …

ChIMES Carbon 2.0: A Transferable Machine-Learned Interatomic Model Harnessing Multifidelity Training Data

R Lindsey, S Bastea, S Hamel, Y Lyu, N Goldman… - 2024 - chemrxiv.org
We present a new parameterization of the ChIMES physics informed machine-learned
interatomic model for simulating carbon under conditions ranging from 300 K and 0 GPa to …

Hierarchical Transfer Learning: An Agile and Equitable Strategy for Machine-Learning Interatomic Models

R Lindsey, A Oladipupo, S Bastea, B Steele, IFW Kuo… - 2024 - chemrxiv.org
Machine-learned interatomic models have growing in popularity due to their ability to afford
near quantum-accurate predictions for complex phenomena, with orders-of-magnitude …