Computational Nanostructure Modeling Publications

Publications in Computational Nanostructure Modeling

Explore the most influential research papers and scholarly works that have shaped Computational Nanostructure Modeling. Use the concept filter below to focus on a specific sub-area of research.

Computational Nanostructure Modeling

Publications

61.2K

Citations

Showing yearly statistics from 2000-2026.

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	Year	Citations
<scp>cp2k:</scp> atomistic simulations of condensed matter systems Jürg Hutter, Marcella Iannuzzi, Florian Schiffmann, Wiley Interdisciplinary Reviews Computational Molecular Science EngineeringMaterial SimulationComplex SystemsComputational Nanostructure ModelingComputational Chemistry	2013	2.8K
Recent advances and applications of machine learning in solid-state materials science Jonathan Schmidt, Mário R. G. Marques, Silvana Botti, npj Computational Materials Artificial IntelligenceCrystal StructureEngineeringMachine LearningMachine Learning Tool	2019	2.3K
P<scp>y</scp>SCF: the Python‐based simulations of chemistry framework Qiming Sun, Timothy C. Berkelbach, Nick S. Blunt, Wiley Interdisciplinary Reviews Computational Molecular Science EngineeringMaterial SimulationComputational ChemistryComputational Nanostructure ModelingChemistry	2017	1.6K
Nanoscale device modeling: the Green’s function method Supriyo Datta Superlattices and Microstructures Electrical EngineeringNanoscale SystemEngineeringNanoscale Device ModelingNanotechnology	2000	1.2K
Mechanics of carbon nanotubes Dong Qian, and Gregory J Wagner, Wing Kam Liu, Applied Mechanics Reviews EngineeringMultiscale MechanicsCarbon NanotechnologyMechanical EngineeringMaterial Simulation	2002	1.1K
Training Deep Neural Networks for the Inverse Design of Nanophotonic Structures Dianjing Liu, Yixuan Tan, Erfan Khoram, ACS Photonics Convolutional Neural NetworkEngineeringMachine LearningComputational Nanostructure ModelingNanocomputing	2018	1K
Machine learning in materials science Jing Wei, Xuan Chu, Xiangyu Sun, InfoMat Materials ScienceEmpirical TrialEngineeringMachine LearningData Science	2019	944
A strategy to apply machine learning to small datasets in materials science Ying Zhang, Chen Ling npj Computational Materials EngineeringMachine LearningMachine Learning ToolMaterial SimulationComputational Nanostructure Modeling	2018	694
Evolving better nanoparticles: Genetic algorithms for optimising cluster geometries Roy L. Johnston Dalton Transactions Cluster ComputingEngineeringNanoclusterComputational ChemistryComputational Nanostructure Modeling	2003	651
A New Benchmark for TiO<sub>2</sub> Nanotube Array Growth by Anodization Haripriya E. Prakasam, Karthik Shankar, Maggie Paulose, The Journal of Physical Chemistry C Ethylene GlycolEngineeringElectrode-electrolyte InterfaceNew BenchmarkComputational Nanostructure Modeling	2007	578
Deep learning enabled inverse design in nanophotonics Sunae So, Trevon Badloe, Jaebum Noh, Nanophotonics Artificial IntelligenceEngineeringMachine LearningComputational Nanostructure ModelingNanocomputing	2020	510
Machine Learning Force Fields: Construction, Validation, and Outlook Venkatesh Botu, Rohit Batra, James Chapman, The Journal of Physical Chemistry C Artificial IntelligenceEngineeringMachine LearningMachine Learning ToolMaterial Simulation	2016	508

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