activity
20172024
most citedMachine Learning Interatomic Potential for Simulations of Carbon at Extreme Conditions

66 citations · 66 across the 5 of their papers we have counts for

collaborators

5 papers

cond-mat.mtrl-sci2024

Extreme Metastability of Diamond and its Transformation to BC8 Post-Diamond Phase of Carbon

Kien Nguyen-Cong, Jonathan T. Willman, Joseph M. Gonzalez +9

Diamond possesses exceptional physical properties due to its remarkably strong carbon-carbon bonding, leading to significant resilience to structural transformations at very high p…

cond-mat.mtrl-sci2022

Metastable Carbon at Extreme Conditions

Ashley S. Williams, Kien Nguyen-Cong, Jonathan T. Willman +1

Carbon at extreme conditions is the focus of intensive scientific inquiry due to its importance for applications in inertial confinement fusion experiments and for understanding th…

cond-mat.mtrl-sci2022★ 66 cited

Machine Learning Interatomic Potential for Simulations of Carbon at Extreme Conditions

Jonathan T. Willman, Kien Nguyen-Cong, Ashley S. Williams +5

A Spectral Neighbor Analysis (SNAP) machine learning interatomic potential (MLIP) has been developed for simulations of carbon at extreme pressures (up to 5 TPa) and temperatures (…

cond-mat.mtrl-sci2021

Crystal Structure of Silver Pentazolates AgN5 and AgN6

Ashley S. Williams, Kien Nguyen Cong, Joseph M. Gonzalez +1

Silver pentazolate, a high energy density compound containing cyclo-N5- anion, has recently been synthesized at ambient conditions. However, due to high sensitivity to irradiation,…

cond-mat.mtrl-sci2017

Novel Rubidium Poly-Nitrogen Materials at High Pressure

Ashley S. Williams, Brad A. Steele, van I. Oleynik

First-principles crystal structure search is performed to predict novel rubidium poly-nitrogen materials at high pressure by varying the stoichiometry, i. e. relative quantities of…