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Accounts of Chemical Research|April 9, 2013
Ruthenia-based electrochemical supercapacitors: insights from first-principles calculationsVidvuds Ozoliņš, Fei Zhou, Mark AstaNature Communications|June 28, 2020
Uncovering the effects of interface-induced ordering of liquid on crystal growth using machine learningRodrigo Freitas, Evan J ReedProceedings of the National Academy of Sciences of the United States of America|March 24, 2021
Magnetically driven short-range order can explain anomalous measurements in CrCoNiFlynn Walsh, Mark Asta, Robert O RitchieProceedings of the National Academy of Sciences of the United States of America|July 27, 2017
On the question of fractal packing structure in metallic glassesJun Ding, Mark Asta, Robert O RitchieThe Journal of Physical Chemistry. C, Nanomaterials and Interfaces|September 10, 2025
Density Functional Theory Study of Iron-Oxygen Divacancies in Magnetite (Fe3O4) and Hematite (Fe2O3)Shivani Srivastava, Blas Pedro Uberuaga, Mark AstaPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|October 15, 2008
Atomistic simulation study of the structure and dynamics of a faceted crystal-melt interfaceDorel Buta, Mark Asta, Jeffrey J HoytThe Journal of Chemical Physics|August 28, 2007
Kinetic coefficient of steps at the Si(111) crystal-melt interface from molecular dynamics simulationsDorel Buta, Mark Asta, Jeffrey J HoytPhysical Review Letters|March 19, 2013
Solid-liquid interfacial premeltingYang Yang, Mark Asta, Brian B LairdPhysical Review Letters|January 5, 2019
Segregation-Induced Nanofaceting Transition at an Asymmetric Tilt Grain Boundary in CopperNicolas J Peter, Timofey Frolov, Maria J Duarte, et al.Physical Chemistry Chemical Physics : PCCP|November 9, 2013
Computational characterization of the internal bonding and solvation structure for [Nb10O28]aq6-Benjamin E Hanken, Mark Asta, William H CaseyPageof 12