Home Topics
Topics
Level 1:
CarbonCatalyticEnergyFabricationMaterial compositionMorphologyNano biologyNano detectionNano deviceNano unitSemiconductorSynthesisTheory
Level 2:
ALLComputationElectronMolecular dynamicsQuantum
Level 3:
ALLCalculationsDensity functional theoryDynamics Energy gapExcited states Free energy Kinetic theoryKinetics Molecular dynamicsVan der Waals forces
Communication | Open Access
Significantly enhanced thermal conduction across multilayer graphene assembled by molecular bridges vs van der Waals interactions
Available online: 24 February 2026
Review Article | Open Access
Dynamic processes of oxygen reduction reaction: Insights from theoretical simulations and in-situ characterization
Available online: 08 February 2026
Research Article | Open Access
Deep learning guided generation of uranyl peroxide clusters via fullerene inspired topologies
Published: 15 October 2025
2025, 18(11): 94908047
Research Article | Open Access
Effects of side-chain structure and spacing on the assemblies of perfluorosulfonic acid ionomers and local oxygen transport in PEM fuel cells
Published: 20 August 2025
2025, 18(9): 94907682
Review Article
Enhanced sampling in molecular dynamics simulations and their latest applications—A review
Published: 02 December 2023
2023, 16(12): 13474-13497
Research Article | Open Access
Neuromorphic nanocluster networks: Critical role of the substrate in nano-link formation
Published: 31 May 2023
2023, 16(7): 10500-10506
Research Article
Water’s motions in x–y and z directions of 2D nanochannels: Entirely different but tightly coupled
Published: 27 February 2023
2023, 16(5): 6298-6307
Research Article
Borophene gas sensor
Published: 30 October 2021
2022, 15(3): 2537-2544
Research Article
Intramolecular hydrogen bonds in a single macromolecule: Strength in high vacuum versus liquid environments
Published: 10 August 2021
2022, 15(2): 1517-1523
Research Article
Continuous water-water hydrogen bonding network across the rim of carbon nanotubes facilitating water transport for desalination
Published: 05 July 2021
2021, 14(7): 2171-2178
Total 12