Active supercoiling induction in plasmid suspensions creates branched conformations and locks threaded entanglements into slowly relaxing clusters.
Plimpton, Fast parallel algorithms for short-range molecular dynamics, J
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Cohesive fine particles trap in static beds of larger particles via collision-induced adhesion and friction, overriding geometric percolation expectations at diameter ratio 7.
Helical multilayer graphene relaxes into supermoiré domains whose effective Hamiltonians partition the low-energy spectrum into folded Dirac sectors with domain-dependent and gate-tunable valley topology.
An end-to-end framework combining domain separation, lightweight ML potentials, and de novo in silico synthesis enables quantitative atomistic modeling of mesoporous metallosilicates that matches experimental densities, pair distribution functions, IR spectra, and hydroxyl densities.
Green-Kubo MD simulations with MLPs yield up to 119% higher thermal conductivity than phonon quasiparticle methods for seifertite and pyrite-type SiO2, with a 19% reduction at the phase transition that may form an insulating layer in super-Earth mantles.
Thermodynamic fluctuations in a Griffiths-like region near a liquid-vapor-glass frustration state explain the Stokes-Einstein breakdown in supercooled metallic glass-forming liquids.
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An experimentally validated end-to-end framework for operando modeling of intrinsically complex metallosilicates
An end-to-end framework combining domain separation, lightweight ML potentials, and de novo in silico synthesis enables quantitative atomistic modeling of mesoporous metallosilicates that matches experimental densities, pair distribution functions, IR spectra, and hydroxyl densities.