3 papers
physics.chem-ph2025
Nanoconfined superionic water is a molecular superionic
Samuel W. Coles, Amir Hajibabaei, Venkat Kapil +4
Superionic ice, where water molecules dissociate into a lattice of oxygen ions and a rapidly diffusing 'gas' of protons, represents an exotic state of matter with broad implication…
cond-mat.mtrl-sci2024
Symmetry Breaking in the Superionic Phase of Silver-Iodide
Amir Hajibabaei, William J. Baldwin, Gábor Csányi +1
In the superionic phase of silver iodide, we observe a distorted tetragonal structure characterized by symmetry breaking in the cation distribution. This phase competes with the we…
cond-mat.soft2024
Active Sparse Bayesian Committee Machine Potential for Isothermal-Isobaric Molecular Dynamics Simulations
Soohaeng Yoo Willow, Dong Geon Kim, R. Sundheep +3
Recent advancements in machine learning potentials (MLPs) have significantly impacted the fields of chemistry, physics, and biology by enabling large-scale first-principles simulat…