| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A computational strategy to improved methane activation single-atom catalysts toward ethylene formation
|
Lee, Sungjin
|
|
|
236 |
C |
p.
|
artikel
|
| 2 |
A computational study on strain dependent photocatalytic activity of Janus Ga-Al-X-Se (X = S and Se) monolayers
|
Mehta, Disha
|
|
|
236 |
C |
p.
|
artikel
|
| 3 |
A glimpse inside materials: Polymer structure – Glass transition temperature relationship as observed by a trained artificial intelligence
|
Miccio, Luis A.
|
|
|
236 |
C |
p.
|
artikel
|
| 4 |
A simple DFT proposed model for charged particles in arbitrary spatial dimensions: Thermodynamic excitations
|
Flores, J.C.
|
|
|
236 |
C |
p.
|
artikel
|
| 5 |
Automated identification and tracking of deformation twin structures in molecular dynamics simulations
|
Ehrich, H.J.
|
|
|
236 |
C |
p.
|
artikel
|
| 6 |
Computational identification of 2D TlPt2X3 (X = S, Se, Te) for thermoelectric and photocatalytic applications
|
Fang, Wenyu
|
|
|
236 |
C |
p.
|
artikel
|
| 7 |
Corrigendum to “Orientation effect on α/β phase interface mediated deformation mechanism in titanium alloy” [Comput. Mater. Sci. 231 (2024) 112616]
|
Wan, Panpan
|
|
|
236 |
C |
p.
|
artikel
|
| 8 |
Editorial Board
|
|
|
|
236 |
C |
p.
|
artikel
|
| 9 |
Effect of V doping on the electronic structure and hydrogen storage performance of the Li-Mg-N-H material
|
Zhang, He
|
|
|
236 |
C |
p.
|
artikel
|
| 10 |
Elaboration of a neural-network interatomic potential for silica glass and melt
|
Trillot, Salomé
|
|
|
236 |
C |
p.
|
artikel
|
| 11 |
Evaluating generalized feature importance via performance assessment of machine learning models for predicting elastic properties of materials
|
Banik, Suvo
|
|
|
236 |
C |
p.
|
artikel
|
| 12 |
HOSSNet: An efficient physics-guided neural network for simulating micro-crack propagation
|
Chen, Shengyu
|
|
|
236 |
C |
p.
|
artikel
|
| 13 |
Influence of crystallographic orientation on fatigue crack at notch of Inconel 718 alloy
|
Wang, Jie
|
|
|
236 |
C |
p.
|
artikel
|
| 14 |
Integrative approach of machine learning and symbolic regression for stability prediction of multicomponent perovskite oxides and high-throughput screening
|
Zhang, Zhaosheng
|
|
|
236 |
C |
p.
|
artikel
|
| 15 |
Investigating the CsAu X 3 [ X = C l , B r , I ] perovskite materials properties responsible for photovoltaic applications: A first-principles study
|
Atsue, Tersoo
|
|
|
236 |
C |
p.
|
artikel
|
| 16 |
Magnetic structure and pressure-induced spin-crossover in Me3B2O6 (Me = Mn, Fe, Co, Ni) kotoites: Representation analysis and DFT calculations
|
Zhandun, Vyacheslav S.
|
|
|
236 |
C |
p.
|
artikel
|
| 17 |
Modeling of irradiation-induced microstructure evolution in Fe: Impact of Frenkel pair distribution
|
Mansouri, Ebrahim
|
|
|
236 |
C |
p.
|
artikel
|
| 18 |
Numerical prediction of primary dendrite arm spacing (PDAS), properties of the mushy zone, and freckle risk for various multicomponent Ni-base superalloys using the 3D-phase-field method
|
Böttger, B.
|
|
|
236 |
C |
p.
|
artikel
|
| 19 |
Phase-field model of strain effect on superconducting transitions and mesoscale pattern formation
|
Fortino, Daniel
|
|
|
236 |
C |
p.
|
artikel
|
| 20 |
Pore-penetration enabled ultrahigh interfacial thermal conductance between polyethylene and carbon honeycomb
|
Liu, Bo
|
|
|
236 |
C |
p.
|
artikel
|
| 21 |
Shrinkage flow related to phase change rate: Phase-field and Lattice Boltzmann method study
|
Ma, Chuanzhen
|
|
|
236 |
C |
p.
|
artikel
|
| 22 |
Stable pressure-stabilized polymeric nitrogen in nitrogen-rich YNx (x = 6, 7) compounds
|
Gao, Xinlei
|
|
|
236 |
C |
p.
|
artikel
|
| 23 |
Tailoring of band alignments and magnetic properties in two-dimensional CrBr3/MoS2 van der Waals heterobilayer
|
Feng, Jindi
|
|
|
236 |
C |
p.
|
artikel
|
| 24 |
The electron transport properties and thermoelectric performance in graphene–boron–nitride-nanoribbon-based heterojunctions
|
Dong, Xin
|
|
|
236 |
C |
p.
|
artikel
|
| 25 |
Topological changes and deformation mechanisms of nanoporous Ta under compression
|
Vazquez von Bibow, N.
|
|
|
236 |
C |
p.
|
artikel
|
| 26 |
Two-dimensional Strontium Tantalate: 2D-Sr 2 TaO 4
|
González, J.W.
|
|
|
236 |
C |
p.
|
artikel
|
| 27 |
Understanding solidification of near eutectic alloy using Cellular Automata (CA)
|
Roy, Indranil
|
|
|
236 |
C |
p.
|
artikel
|
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