| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Assessing Mg–Sc–(rare earth) ternary phase stability via constituent binary cluster expansions
|
Soper, Anna
|
|
|
207 |
C |
p.
|
artikel
|
| 2 |
Computational synthesis of 2D materials: A high-throughput approach to materials design
|
Boland, Tara M.
|
|
|
207 |
C |
p.
|
artikel
|
| 3 |
Convolutional neural networks for expediting the determination of minimum volume requirements for studies of microstructurally small cracks, Part I: Model implementation and predictions
|
DeMille, Karen J.
|
|
|
207 |
C |
p.
|
artikel
|
| 4 |
Dendrite-resolved, full-melt-pool phase-field simulations to reveal non-steady-state effects and to test an approximate model
|
Qin, Yigong
|
|
|
207 |
C |
p.
|
artikel
|
| 5 |
Determination of the structure of lithium niobosilicate glasses by molecular dynamics simulation with a new Nb-O potential
|
Sun, Wei
|
|
|
207 |
C |
p.
|
artikel
|
| 6 |
Editorial Board
|
|
|
|
207 |
C |
p.
|
artikel
|
| 7 |
Effects of interatomic potential on fracture behaviour in single- and bicrystalline tungsten
|
Hiremath, Praveenkumar
|
|
|
207 |
C |
p.
|
artikel
|
| 8 |
First-principles study of radiation defects in silicon
|
Pelenitsyn, Vladislav
|
|
|
207 |
C |
p.
|
artikel
|
| 9 |
Grand-potential-based phase-field model of dissolution/precipitation: Lattice Boltzmann simulations of counter term effect on porous medium
|
Boutin, Téo
|
|
|
207 |
C |
p.
|
artikel
|
| 10 |
Hierarchical multi-response Gaussian processes for uncertainty analysis with multi-scale composite manufacturing simulation
|
Zhou, Kai
|
|
|
207 |
C |
p.
|
artikel
|
| 11 |
High-throughput generation of potential energy surfaces for solid interfaces
|
Wolloch, Michael
|
|
|
207 |
C |
p.
|
artikel
|
| 12 |
Implications of coordination chemistry to cationic interactions in honeycomb layered nickel tellurates
|
Tada, Kohei
|
|
|
207 |
C |
p.
|
artikel
|
| 13 |
Inverse analysis of anisotropy of solid-liquid interfacial free energy based on machine learning
|
Kim, Geunwoo
|
|
|
207 |
C |
p.
|
artikel
|
| 14 |
Lattice inversion potential with neural network corrections for metallic systems
|
Wu, Feifeng
|
|
|
207 |
C |
p.
|
artikel
|
| 15 |
Machine learning for compositional disorder: A comparison between different descriptors and machine learning frameworks
|
Yaghoobi, Mostafa
|
|
|
207 |
C |
p.
|
artikel
|
| 16 |
Mechanism of complete dehydrogenation of ammonia borane in electrochemical alkaline environment
|
Zhang, Quan
|
|
|
207 |
C |
p.
|
artikel
|
| 17 |
Mechanism of the motion of nanovehicles on hexagonal boron-nitride: A molecular dynamics study
|
Vaezi, Mehran
|
|
|
207 |
C |
p.
|
artikel
|
| 18 |
Non-equilibrium free-energy calculation of phase-boundaries using LAMMPS
|
Cajahuaringa, Samuel
|
|
|
207 |
C |
p.
|
artikel
|
| 19 |
Optimization of the elastic properties of block copolymers using coarse-grained simulation and an artificial neural network
|
Aoyagi, Takeshi
|
|
|
207 |
C |
p.
|
artikel
|
| 20 |
Prediction of the strength of aged Al-Cu alloys with non-hybrid and hybrid {100}Al plates
|
Krasnikov, V.S.
|
|
|
207 |
C |
p.
|
artikel
|
| 21 |
Robustness of specimen design criteria for identification of anisotropic mechanical behaviour from heterogeneous mechanical fields
|
Thoby, Jean-David
|
|
|
207 |
C |
p.
|
artikel
|
| 22 |
Simultaneous effects of agglomeration and interfacial defects on gas transport properties in nanocomposites: A novel modeling approach
|
Sarrami, Pooriya
|
|
|
207 |
C |
p.
|
artikel
|
| 23 |
Size and stoichiometric dependence of thermal conductivities of In x Ga 1-x N: A molecular dynamics study
|
Wang, Bowen
|
|
|
207 |
C |
p.
|
artikel
|
| 24 |
Spinodal limits of supercooled liquid Al deduced from configuration heredity of crystal clusters
|
Li, Yuan
|
|
|
207 |
C |
p.
|
artikel
|
| 25 |
TeaNet: Universal neural network interatomic potential inspired by iterative electronic relaxations
|
Takamoto, So
|
|
|
207 |
C |
p.
|
artikel
|
| 26 |
The effect of network topology on material properties in vinyl-ester/styrene thermoset polymers using molecular dynamics simulations and time–temperature superposition
|
Huang, Ming
|
|
|
207 |
C |
p.
|
artikel
|
| 27 |
Thermal rectification in nozzle-like graphene/boron nitride nanoribbons: A molecular dynamics simulation
|
Zarghami Dehaghani, Maryam
|
|
|
207 |
C |
p.
|
artikel
|
| 28 |
Transport behavior and thermoelectric properties of SnSe/SnS heterostructure modulated with asymmetric strain engineering
|
Liu, Peijie
|
|
|
207 |
C |
p.
|
artikel
|
| 29 |
Unusual structure and properties of germanium under pressure
|
Li, Peifang
|
|
|
207 |
C |
p.
|
artikel
|
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