| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accelerated search for ABO3-type the electronic contribution of polycrystalline dielectric constants by machine learning
|
Lin, Xinyu
|
|
|
193 |
C |
p.
|
artikel
|
| 2 |
Adsorption behavior of metal-organic frameworks: From single simulation, high-throughput computational screening to machine learning
|
Yan, Yaling
|
|
|
193 |
C |
p.
|
artikel
|
| 3 |
A first-principles study of self-diffusion and dilute solute diffusion of Au in FCC Ag
|
Mackowski, K.N.
|
|
|
193 |
C |
p.
|
artikel
|
| 4 |
A highly accurate interatomic potential for LaMnO3 perovskites with temperature-dependence of structure and thermal properties
|
Qu, Xin-Yu
|
|
|
193 |
C |
p.
|
artikel
|
| 5 |
Alloy thermodynamics via the Multi-cell Monte Carlo (MC)2 method
|
Ghazisaeidi, Maryam
|
|
|
193 |
C |
p.
|
artikel
|
| 6 |
A phase field model of crack propagation in anisotropic brittle materials with preferred fracture planes
|
Zhang, Shuaifang
|
|
|
193 |
C |
p.
|
artikel
|
| 7 |
Biased screening for multi-component materials with Structures of Alloy Generation And Recognition (SAGAR)
|
He, Chang-Chun
|
|
|
193 |
C |
p.
|
artikel
|
| 8 |
Chemo-thermomechanical behaviors of Enzyme-degradable shape memory composite and its heat-enzyme triggered shape memory properties
|
Yang, Cheng
|
|
|
193 |
C |
p.
|
artikel
|
| 9 |
Cooperative roles of stacking fault energies on dislocation nucleation at bimetal interface through tunable potentials
|
Yao, B.N.
|
|
|
193 |
C |
p.
|
artikel
|
| 10 |
Density functional theory-free descriptor for the practical discovery of perovskite catalysts
|
Yin, Wan-Jian
|
|
|
193 |
C |
p.
|
artikel
|
| 11 |
Editorial Board
|
|
|
|
193 |
C |
p.
|
artikel
|
| 12 |
Effect of abrasive particle shape on the development of silicon substrate during nano-grinding
|
Huang, Yuhua
|
|
|
193 |
C |
p.
|
artikel
|
| 13 |
Effects of carbon impurity on tritium diffusion and helium formation in γ-LiAlO2 pellets: A first-principles study
|
Paudel, Hari P.
|
|
|
193 |
C |
p.
|
artikel
|
| 14 |
First-principles study on the electronic structures and ferromagnetism of tetragonal AlN monolayer doped with Be and C
|
Lin, Xiang
|
|
|
193 |
C |
p.
|
artikel
|
| 15 |
Grain boundary energy landscape from the shape analysis of synthetically stabilized embedded grains
|
Schratt, Adrian A.
|
|
|
193 |
C |
p.
|
artikel
|
| 16 |
Influence of process parameters on heat transfer of molten pool for selective laser melting
|
Siao, Yong-Hao
|
|
|
193 |
C |
p.
|
artikel
|
| 17 |
Machine learning in materials science: From explainable predictions to autonomous design
|
Pilania, Ghanshyam
|
|
|
193 |
C |
p.
|
artikel
|
| 18 |
MAST-SEY: MAterial Simulation Toolkit for Secondary Electron Yield. A monte carlo approach to secondary electron emission based on complex dielectric functions
|
Polak, Maciej P.
|
|
|
193 |
C |
p.
|
artikel
|
| 19 |
Microstructure evolution and sequence of phase transition reactions through the solidification of Mo-Si-B alloy; a phase-field study
|
Kazemi, Omid
|
|
|
193 |
C |
p.
|
artikel
|
| 20 |
Modelling and simulation of the freeze casting process with the phase-field method
|
Seiz, Marco
|
|
|
193 |
C |
p.
|
artikel
|
| 21 |
Molecular dynamics simulation of cubic InxGa(1-x)N layers growth by molecular beam epitaxy
|
Camas, C.
|
|
|
193 |
C |
p.
|
artikel
|
| 22 |
Phase field benchmark problems for nucleation
|
Wu, W.
|
|
|
193 |
C |
p.
|
artikel
|
| 23 |
Predictive descriptors in machine learning and data-enabled explorations of high-entropy alloys
|
Roy, Ankit
|
|
|
193 |
C |
p.
|
artikel
|
| 24 |
Problem-fluent models for complex decision-making in autonomous materials research
|
Baek, Soojung
|
|
|
193 |
C |
p.
|
artikel
|
| 25 |
Recent progress in atomistic modelling and simulations of donor spin qubits in silicon
|
Usman, Muhammad
|
|
|
193 |
C |
p.
|
artikel
|
| 26 |
Relative relevance of mobility and driving force on edge dislocation climb by the vacancy mechanism
|
Martínez, Enrique
|
|
|
193 |
C |
p.
|
artikel
|
| 27 |
Relaxation, crystal nucleation, kinetic spinodal and Kauzmann temperature in supercooled zinc selenide
|
Separdar, Leila
|
|
|
193 |
C |
p.
|
artikel
|
| 28 |
Screen the half-metallic X2Y (Al/Si) full-Heusler alloys based on the first-principle calculations
|
Li, Yutong
|
|
|
193 |
C |
p.
|
artikel
|
| 29 |
Skeletal-based microstructure representation and convolution reconstruction
|
Jivani, Devyani
|
|
|
193 |
C |
p.
|
artikel
|
| 30 |
The evaluation of anchoring processes and chemical stability of zwitterionic molecules via local reactivity indexes
|
Gomes, O.P.
|
|
|
193 |
C |
p.
|
artikel
|
| 31 |
Uncertainty and anharmonicity in thermally activated dynamics
|
Swinburne, Thomas D.
|
|
|
193 |
C |
p.
|
artikel
|
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