Machine learnt bond order potential to model metal-organic (Co-C) heterostructures.

scientific article published on 18 October 2017

Machine learnt bond order potential to model metal-organic (Co-C) heterostructures. is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.1039/C7NR06038F
P698PubMed publication ID29043353

P50authorBadri NarayananQ39272523
Fatih G SenQ45944954
P2093author name stringSubramanian K R S Sankaranarayanan
Stephen K Gray
Maria K Y Chan
Henry Chan
Alper Kinaci
P2860cites workEmpirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond filmsQ21708545
New empirical approach for the structure and energy of covalent systemsQ21708803
Generalized Gradient Approximation Made SimpleQ25938998
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis setQ26778418
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis setQ26778473
Modeling solid-state chemistry: Interatomic potentials for multicomponent systemsQ27339263
Development of the ReaxFF reactive force field for describing transition metal catalyzed reactions, with application to the initial stages of the catalytic formation of carbon nanotubesQ28251365
Nanoscale chemical tomography of buried organic-inorganic interfaces in the chiton tooth.Q33791856
Room-temperature fabrication of transparent flexible thin-film transistors using amorphous oxide semiconductorsQ33983345
Optically directed mesoscale assembly and patterning of electrically conductive organic-inorganic hybrid structures.Q34309975
Metal-Organic-Framework-Derived Hybrid Carbon Nanocages as a Bifunctional Electrocatalyst for Oxygen Reduction and EvolutionQ36408759
Silica-based mesoporous organic-inorganic hybrid materialsQ36469015
Magnetic metal-organic frameworksQ37454428
Medical applications of organic–inorganic hybrid materials within the field of silica-based bioceramicsQ37806969
Applications of advanced hybrid organic-inorganic nanomaterials: from laboratory to marketQ37828074
Organic-inorganic hybrid nanocomposite-based gas sensors for environmental monitoringQ38453580
Ab Initio-Based Bond Order Potential to Investigate Low Thermal Conductivity of Stanene Nanostructures.Q39446030
Flexible Hybrid Organic-Inorganic Perovskite MemoryQ39839863
Self-diffusion and transport diffusion of light gases in metal-organic framework materials assessed using molecular dynamics simulationsQ40305825
Development of a transferable reactive force field for cobalt.Q45193655
The conflicts between strength and toughness.Q45936025
ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidationQ46061314
Design and preparation of organic-inorganic hybrid catalystsQ46265324
Two Unprecedented POM-Based Inorganic-Organic Hybrids with Concomitant Heteropolytungstate and Molybdate.Q46417658
Cobalt particle size effects in the Fischer-Tropsch reaction studied with carbon nanofiber supported catalystsQ47345049
Cobalt nanoparticle-embedded carbon nanotube/porous carbon hybrid derived from MOF-encapsulated Co3O4 for oxygen electrocatalysis.Q51250278
Catalyzed growth of carbon nanotube with definable chirality by hybrid molecular dynamics-force biased Monte Carlo simulations.Q53075103
Friction. Macroscale superlubricity enabled by graphene nanoscroll formation.Q53234932
Cobalt-catalysed growth of carbon nanotubes with single-atomic-layer wallsQ54152374
Carbon-based tribofilms from lubricating oils.Q54220795
A fast and elitist multiobjective genetic algorithm: NSGA-IIQ56112663
Strong correlations between structural order and passive state at water–copper oxide interfacesQ57357784
Mechanical properties of hybrid organic–inorganic materialsQ57376239
Design of 3-Dimensional Hierarchical Architectures of Carbon and Highly Active Transition Metals (Fe, Co, Ni) as Bifunctional Oxygen Catalysts for Hybrid Lithium–Air BatteriesQ58175973
Hybrid Inorganic-Organic Materials by Sol-Gel Processing of Organofunctional Metal AlkoxidesQ58812700
P433issue46
P407language of work or nameEnglishQ1860
P304page(s)18229-18239
P577publication date2017-10-18
P1433published inNanoscaleQ3335756
P1476titleMachine learnt bond order potential to model metal-organic (Co-C) heterostructures.
P478volume9

Reverse relations

cites work (P2860)
Q108768061Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems
Q93474226Machine learning enabled autonomous microstructural characterization in 3D samples

Search more.