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Scientific Reports|July 9, 2016
Ab initio engineering of materials with stacked hexagonal tin frameworksJunping Shao, Clément Beaufils, Aleksey N KolmogorovPhysical Chemistry Chemical Physics : PCCP|November 21, 2025
Improving structure search with hyperspatial optimization and TETRIS seedingDaviti Gochitashvili, Maxwell Meyers, Cindy Wang, et al.Physical Chemistry Chemical Physics : PCCP|August 15, 2023
Machine learning search for stable binary Sn alloys with Na, Ca, Cu, Pd, and AgAidan Thorn, Daviti Gochitashvili, Saba Kharabadze, et al.Physical Chemistry Chemical Physics : PCCP|April 11, 2019
Multitribe evolutionary search for stable Cu-Pd-Ag nanoparticles using neural network modelsSamad Hajinazar, Ernesto D Sandoval, Aiden J Cullo, et al.Physical Review Letters|March 5, 2004
Nanotube-substrate interactions: distinguishing carbon nanotubes by the helical angleAleksey N Kolmogorov, Vincent H Crespi, Monika H Schleier-Smith, et al.Physical Chemistry Chemical Physics : PCCP|February 24, 2023
Thermodynamic stability of Li-B-C compounds from first principlesSaba Kharabadze, Maxwell Meyers, Charlsey R Tomassetti, et al.The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|November 29, 2016
Atomic Structural Evolution during the Reduction of α-Fe2O3 NanowiresWenhui Zhu, Jonathan Winterstein, Itai Maimon, et al.Physical Chemistry Chemical Physics : PCCP|October 30, 2018
Structural search for stable Mg-Ca alloys accelerated with a neural network interatomic modelWilfredo Ibarra-Hernández, Samad Hajinazar, Guillermo Avendaño-Franco, et al.Nature Communications|March 3, 2021
Inhomogeneous Kondo-lattice in geometrically frustrated Pr2Ir2O7Mariam Kavai, Joel Friedman, Kyle Sherman, et al.Physical Review Letters|October 29, 2013
Discovery of a superhard iron tetraboride superconductorHuiyang Gou, Natalia Dubrovinskaia, Elena Bykova, et al.Pageof 2