OOIR: Observatory of International Research

Papers

(The H4-Index of Computational Materials Science is 35. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-03-01 to 2025-03-01.)

Article	Citations
Editorial Board	156
Cluster transport induced by a thermal gradient on a crystalline surface	96
Accelerated design of age-hardened Mg-Ca-Zn alloys with enhanced mechanical properties via machine learning	74
Temperature and strain induced switching in the thermal expansion behaviours of 2D SiH and GeH monolayers: An account from first-principle DFT and ab initio molecular dynamics studies	64
Mixing the transition metals in transition metal diborides	64
Effects of different transition metal elements on the thermodynamic properties of thorium-based carbide nuclear fuels: A first-principles study	61
Theoretical study on thermal properties of molybdenum disulfide/silicon heterostructures	53
Theoretical study on two dimensional group IV-VI ternary compounds with large in-plane spontaneous polarization	52
Effect of vacancies on the alloying Al/TiC interface properties: A first-principles study	51
Toward diverse polymer property prediction using transfer learning	50
Multi-factor analysis of the effects of graphene oxide nanoplatelets on self-healing polymer composites based on micromechanical FE simulation	49
Planar Fe:WS2/WS2/Fe:WS2 tunnel junction: Giant magnetoresistance and perfect spin filtering	49
Active-learning search for unitcell structures: A case study on Mg3Bi2-xSbx	48
New modified embedded-atom method interatomic potential to understand deformation behavior in VNbTaTiZr refractory high entropy alloy	47
The impact of anisotropic thermal expansion on the isothermal annealing of polycrystalline	47
Sensitivity of cellular automata grain structure predictions for high solidification rates	45
Retraction Notice to “Application of strain gradient plasticity theory to model Charpy impact energy of functionally graded steels using modified stress-strain curve data” [Comput. Mater. Sci. 51(1) (	45
Retraction notice to “Prediction Charpy impact energy of bcc and fcc functionally graded steels in crack divider configuration by strain gradient plasticity theory” [Comput. Mater. Sci. 50/11 3178–318	45
Retraction notice to “Strain gradient plasticity theory to predict the input data for modeling Charpy impact energy in functionally graded steels” [Comput. Mater. Sci. 50 (2011) 3442–3449]	44
Search strategy for rare microstructure to optimize material properties of filled rubber using machine learning based simulation	44
Machine learning superalloy microchemistry and creep strength from physical descriptors	42
Effect of strain on the band structure and optical properties of Na2Bi2(SeO3)3F2	42
Tuning structure, stability and magnetism in vanadium doped zinc sulfide for spintronic applications: Insights from first-principles and Monte Carlo approaches	42
Exploiting the use of deep learning techniques to identify phase separation in self-assembled microstructures with localized graphene domains in epoxy blends	42
Mechanical properties and deformation-driven band gap tuning on [N]-Carbophenes	41

A tight-binding atomistic approach for point defects and surfaces applied to the o-Al	41
Bayesian active machine learning for Cluster expansion construction	41
The thermal transport characterization of borophene: A molecular dynamics study	40
The effect of screw dislocation on Helium Bubble growth in Tungsten: molecular dynamic simulation study	40
Twin interaction with Σ11 til	40
High-throughput informed machine learning models for ultrastrong B-N solids	39
A thermodynamic tool for designing efficient syntheses of monodisperse and size-tuned nanocrystals	37
On the atomic structure of the β	37
Ab initio study of Al-doping effect on helium behaviors in scandium hydrides	37
Ab initio thermochemistry study of polymorphism in the Si2N2(NH) analog of Si2N2O	36
Applying molecular dynamics simulation to take the fracture fingerprint of polycrystalline SiC nanosheets	35