256 citations · 334 across the 7 of their papers we have counts for
5 papers · 1 filter
PolyGraphPy: A unified Python framework for atomistic simulation and machine learning-driven polymer design
João G. C. S. Duarte, Shruti Venkatram, Morgan Cencer +2
Polymers are indispensable materials with daily applications ranging from electronics to medicine, owing to their versatility, which can be tailored by adjusting their chemical com…
A Panoramic View of MXenes via a New Design Strategy
Noah Oyeniran, Oyshee Chowdhury, Chongze Hu +11
Two-dimensional (2D) transition metal carbides and nitrides, known as MXenes, possess unique physical and chemical properties, enabling diverse applications in fields ranging from…
Local ultra-densification of single-walled carbon nanotube films: modeling and experiment
Artem K. Grebenko, Grigorii Drozdov, Yuriy G. Gladush +15
Fabrication of nanostructured metasurfaces poses a significant technological and fundamental challenge. Despite developing novel systems that support reversible elongation and dist…
Ultralow thermal conductivity in two-dimensional MoO
Zhen Tong, Traian Dumitrică, Thomas Frauenheim
Monolayer molybdenum trioxide (MoO) is an emerging two-dimensional (2D) material with high electrical conductivity. Using first-principles calculations and a Boltzmann transpor…
Densification of Single-Walled Carbon Nanotube Films: Mesoscopic Distinct Element Method Simulations and Experimental Validation
Grigorii Drozdov, Igor Ostanin, Hao Xu +10
Nanometer thin single-walled carbon nanotube (CNT) films collected from the aerosol chemical deposition reactors have gathered attention for their promising applications. Densifica…