Latest Research in Materials Science

Top Research Topics in Materials Science

• Materials Science — 11 papers
• Chemical Physics — 11 papers
• Machine Learning in Materials Science — 5 papers
• Computational Physics — 4 papers
• Advanced Chemical Physics Studies — 3 papers
• Transition Metal Oxide Nanomaterials — 2 papers
• Superconductivity — 1 papers
• Strongly Correlated Electrons — 1 papers
• Multiferroics and related materials — 1 papers
• Physical Unclonable Functions (PUFs) and Hardware Security — 1 papers

Highest-Cited Papers

1. Implementation of the Multigrid Gaussian-Plane-Wave Algorithm with GPU Acceleration in PySCF
2. Data‐Driven Spectral Prediction for Accelerating Large‐Scale Electronic Structure Calculations
3. CDFCI: High-Performance Parallel Software for Quantum Many-Body Eigenvalue Problems
4. The Roadmap of Inorganic Computational Materials Databases: Capabilities, Credibility, Coverage, and the Open Frontier
5. Variational computation of anharmonic ground and excited vibrational eigenstates using bound Quartic Force Fields: Application with MCTDH and ElVibRot
6. NaFeP: first pairing prediction for an unmade 111 iron phosphide, and the pnictogen-height rule inside one compound
7. Development of a Physics-Informed Neural Framework, MEOWN, for Rapid Prediction of Muon Stopping Sites in Crystalline Materials, for understanding Quantum Magnet employing Muon Spectroscopy
8. Symbolic Ensemble Learning Enables Discovery of Fast Accurate Physics-Based Interatomic Potentials
9. Hartree-Fock Density-Matrix Renormalization Group for Very Long Chains
10. Impurity-Preserved Density Matrix Embedding Theory for Local Electronic Excitations
11. Benchmarking Machine-Learning Interatomic Potentials for Dynamical Stability in Inorganic Semiconductor Nanocrystals: A CdSe Case Study
12. Tartrate-chelated aqueous gel-route synthesis of multiferroic BiFeO3 nanoparticles: Calcination-dependent thermal, structural, and morphological evolution
13. How Accurately Can We Describe Spin Crossover?
14. Neural-Network Solutions to Real-Space Charge Density and Generalization
15. Re4+ Luminescence as a Highly Sensitive Alternative to Ruby for Optical Pressure Sensing
16. Gravure secure ink with enhanced anticounterfeiting protection in pharmaceutical packaging
17. Curvature-Enhanced and Chirality-Modulated Anomalous Thermal Transport in Pentagonal Covalent Organic Framework Nanotubes
18. Benchmarking Core-Level X-ray Absorption with MRSF-TDDFT, RASPT2, and Stochastic GAS Using the XABOOM Set
19. Fast and Accurate Excitation Energies from Density Matrix Renormalization Group Calculations Improved by Machine Learning
20. Theoretical Analysis and Optimization of Peak Memory Usage in PyPWDFT for Heterogeneous GPU High-Performance Computing