| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Automated calculations of exchange magnetostriction
|
Nieves, P.
|
|
|
224 |
C |
p.
|
artikel
|
| 2 |
Cluster structure of doped atoms and elastic properties in γ-Ni by first-principles calculations
|
Lu, Chao
|
|
|
224 |
C |
p.
|
artikel
|
| 3 |
C 4 N 4 : A symmetry-protected semimetal
|
Huang, Fenfen
|
|
|
224 |
C |
p.
|
artikel
|
| 4 |
Compactness matters: Improving Bayesian optimization efficiency of materials formulations through invariant search spaces
|
Baird, Sterling G.
|
|
|
224 |
C |
p.
|
artikel
|
| 5 |
Comparison of adsorption capacity of water and hydroxide with collector reagents on geversite (PtSb2) mineral surface: A DFT-D insights
|
Mangwejane, Samuel S.
|
|
|
224 |
C |
p.
|
artikel
|
| 6 |
Coupling stress fields and vacancy diffusion in phase-field models of voids as pure vacancy phase
|
Pendl, Kevin A.
|
|
|
224 |
C |
p.
|
artikel
|
| 7 |
ρ -CP: Open source dislocation density based crystal plasticity framework for simulating temperature- and strain rate-dependent deformation
|
Patra, Anirban
|
|
|
224 |
C |
p.
|
artikel
|
| 8 |
Deformation mechanism of ripplocation in multilayer graphene
|
Li, Mengying
|
|
|
224 |
C |
p.
|
artikel
|
| 9 |
Density functional theory studies of Pt2Ga and Pd2Ga monolayers as multifunctional electrocatalytic materials
|
Zhang, Chen
|
|
|
224 |
C |
p.
|
artikel
|
| 10 |
Dependence of predicted bulk properties of hexagonal hydroxyapatite on exchange–correlation functional
|
Wang, Xian
|
|
|
224 |
C |
p.
|
artikel
|
| 11 |
Editorial Board
|
|
|
|
224 |
C |
p.
|
artikel
|
| 12 |
Efficient discovery of room temperature magnetic transition metal monolayers assisted by artificial neural network
|
Mahmoodabadi, A. Nayamadi
|
|
|
224 |
C |
p.
|
artikel
|
| 13 |
Emulating microstructural evolution during spinodal decomposition using a tensor decomposed convolutional and recurrent neural network
|
Wu, Peichen
|
|
|
224 |
C |
p.
|
artikel
|
| 14 |
Energetic and configurational mechanisms to facilitate mica nanosheets synthesis by organo-ammonium cation intercalation
|
Wu, Shunnian
|
|
|
224 |
C |
p.
|
artikel
|
| 15 |
First-principles analysis of the physical properties of XAcTe2 (X = Li, Na) Heusler alloys for optoelectronic and thermoelectric devices
|
Ain, Quratul
|
|
|
224 |
C |
p.
|
artikel
|
| 16 |
Graph neural networks predict energetic and mechanical properties for models of solid solution metal alloy phases
|
Lupo Pasini, Massimiliano
|
|
|
224 |
C |
p.
|
artikel
|
| 17 |
High-mobility transport symmetry and effect of strain on electronic and optical properties in few-layer blue phosphorus
|
Wang, Tong
|
|
|
224 |
C |
p.
|
artikel
|
| 18 |
High-throughput screening of H2 production catalysts from doped In2SSe monolayer: Valence electrons-based descriptor
|
Mu, Nan
|
|
|
224 |
C |
p.
|
artikel
|
| 19 |
Learning from mistakes: Sampling strategies to efficiently train machine learning models for material property prediction
|
Magar, Rishikesh
|
|
|
224 |
C |
p.
|
artikel
|
| 20 |
Predicting formation of chemically graded metal/ceramic interfaces
|
Gollapalli, Prince
|
|
|
224 |
C |
p.
|
artikel
|
| 21 |
Stability of Mg2Sn(001)/Mg(0001)/MgZn(001) interface doped with transition elements
|
Wang, Furong
|
|
|
224 |
C |
p.
|
artikel
|
| 22 |
Study of the peritectic phase transformation kinetics with elastic effect in the Fe–C system by quantitative phase-field modeling
|
Parida, Himanshu
|
|
|
224 |
C |
p.
|
artikel
|
| 23 |
Tensile strain as an efficient way to tune transport properties of Graphdiyne/Borophene hetero-bilayers; a first principle investigation
|
Jalili, Seifollah
|
|
|
224 |
C |
p.
|
artikel
|
| 24 |
Tuning the interface adhesion of Ag/ZnO composites by metallic dopants: A DFT study
|
Chen, Zi-Yao
|
|
|
224 |
C |
p.
|
artikel
|
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