npj Computational Materials

Titel Veröffentlichungsdatum Sprache Zitate
Tailoring magnetic hysteresis of additive manufactured Fe-Ni permalloy via multiphysics-multiscale simulations of process-property relationships2023/06/12English
Generative adversarial network (GAN) enabled Statistically equivalent virtual microstructures (SEVM) for modeling cold spray formed bimodal polycrystals2024/02/07English
An interpretable machine learning strategy for pursuing high piezoelectric coefficients in (K0.5Na0.5)NbO3-based ceramics2023/12/22English
Superconductivity in unconventional metals2024/01/30English
Q-RBSA: high-resolution 3D EBSD map generation using an efficient quaternion transformer network2024/01/30English
Full-landscape selection rules of electrons and phonons and temperature-induced effects in 2D silicon and germanium allotropes2024/01/02English
Prediction and understanding of barocaloric effects in orientationally disordered materials from molecular dynamics simulations2024/01/13English
Machine-learning potentials for nanoscale simulations of tensile deformation and fracture in ceramics2024/04/02English
Thermodynamics of order and randomness in dopant distributions inferred from atomically resolved imaging2021/03/25English
X-ray scattering tensor tomography based finite element modelling of heterogeneous materials2024/03/11English
Prediction of electrode microstructure evolutions with physically constrained unsupervised image-to-image translation networks2024/03/09English
Nonlinear dynamics of directly coupled skyrmions in ferrimagnetic spin torque nano-oscillators2024/03/08English
Integrated analysis of X-ray diffraction patterns and pair distribution functions for machine-learned phase identification2024/02/28English
The rule of four: anomalous distributions in the stoichiometries of inorganic compounds2024/04/12English
Computed entropy spectra for grain boundary segregation in polycrystals2024/04/12English
Accurate machine learning force fields via experimental and simulation data fusion2024/04/05English
Coupled cluster finite temperature simulations of periodic materials via machine learning2024/04/04English
Recent progress of artificial intelligence for liquid-vapor phase change heat transfer2024/03/30English
Physics-inspired transfer learning for ML-prediction of CNT band gaps from limited data2024/04/02English
Central role of d-band energy level in Cu-based intermetallic alloys2024/04/11English
Rotational magnetoelectric switching in orthorhombic multiferroics2024/04/09English
Optical second harmonic generation in anisotropic multilayers with complete multireflection of linear and nonlinear waves using ♯SHAARP.ml package2024/03/29English
Mechanical-electrical-chemical coupling study on the stabilization of a hafnia-based ferroelectric phase2023/12/09English
Deep learning approaches for instantaneous laser absorptance prediction in additive manufacturing2024/01/05English
Symmetry-driven half-integer conductance quantization in Cobalt–fulvalene sandwich nanowire2023/10/21English
Parametric simulation of electron backscatter diffraction patterns through generative models2023/10/23English
Ab initio theory of the nonequilibrium adsorption energy2024/03/22English
MLMD: a programming-free AI platform to predict and design materials2024/03/21English
Leveraging language representation for materials exploration and discovery2024/03/21English
An anisotropic lattice Boltzmann - phase field model for dendrite growth and movement in rapid solidification of binary alloys2024/03/28English