Latest Research in Computational Materials Physics

Top Research Topics in Computational Materials Physics

• Materials Science — 85 papers
• Chemical Physics — 79 papers
• Machine Learning in Materials Science — 75 papers
• Advanced Chemical Physics Studies — 22 papers
• Hydrogen Storage and Materials — 17 papers
• Magnetic Properties and Synthesis of Ferrites — 13 papers
• Spectroscopy and Quantum Chemical Studies — 13 papers
• Computational Physics — 12 papers
• Conducting polymers and applications — 10 papers
• Transition Metal Oxide Nanomaterials — 9 papers

Highest-Cited Papers

1. The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project (5 citations)
2. AutoPot: Automated and massively parallelized construction of machine-learning potentials (1 citations)
3. ThermoLIB─A Python Library for Constructing and Post-Processing Free-Energy Surfaces to Extract Thermodynamic and Kinetic Properties (1 citations)
4. A compact analytical expression for the maximum tunneling magneto-dielectric response in nanogranular films
5. Non-Equilibrium Dynamics of the Time-Dependent Excitonic Coupling in Fluorescent Protein Dimers
6. Suppressing Deep Ion Trapping in TiO2 Electrochromics via Interfacial Engineering of WO3–Al2O3/VOx Heterostructures
7. THE VANGUARD FRAMEWORK Algorithmic Symbiosis and the End of Carbon-Based Homeostasis The Microbiome Civil War, Cyber-Biological Frustration, and the Arrival of Synthetic Harmony
8. Hydrogen-Bonding Assembly of Monolayer Metallic Silver Nanocluster Superlattices Improving Guest Fluorescence
9. A Physics-Constrained Synergetic Active- and Transfer-Learning Framework for Constructing a Spectroscopically Accurate Full-Dimensional Potential Energy Surface of H2O–N2 Complex
10. Resistive Switching and Space-Charge-Limited Transport in Ag/α-Phase Patterned PVDF/Ag Devices Fabricated by Soft Imprint Lithography
11. Coupling Quantum Mechanical Modeling and Molecular Dynamics on Heterogeneous Supercomputers for Studying Distal Mutation Effects on Drug Binding in HIV-1
12. Post-Fabrication Deprotection of Semiconducting Polymers for High-Performance Organic Electrochemical Transistors
13. CoTAR: Topology and Atomic State Reconstruction in Condensed Phases
14. Quantum-inspired inverse design of heterogeneous catalysts for hydrogen evolution reaction
15. ВИГОТОВЛЕННЯ ТА МОРФОЛОГІЧНА, МІКРОСТРУКТУРНА ТА ОПТИЧНА ХАРАКТЕРИСТИКА НАНОКОМПОЗИТІВ PS/Cu-ZnO ДЛЯ ЗАСТОСУВАНЬ У ПЕРЕДОВІЙ ОПТОЕЛЕКТРОНІЦІ
16. Electrolyte-Gated IGZO Nanofiber Transistors with Ultrafast Switching and Long-Term Stability for Ultraflexible Logic Circuits
17. Light-Controlled Dynamic Gradient Helical Superstructure in Photo-Responsive Polymer-Dispersed Cholesteric Liquid Crystals for Triple-Lock Optical Encryption
18. Bottlenecks in Hamiltonian-Adaptive Resolution Simulation Method for Modeling Interfaces
19. Tailored coupled cluster method with sample-based quantum diagonalization: Application to titanium-based metallocene catalytic reactions for 1-hexene production
20. Rational Synthesis and Structure Control of High-Entropy Spinel Oxides

Sub-Regions

• Spectroscopy and Quantum Chemical Studies — 134 papers
• Machine Learning in Materials Science — 132 papers
• Chemical Physics — 81 papers
• Polymer Nanocomposite Synthesis and Irradiation — 67 papers
• Materials Science — 56 papers
• Advanced Chemical Physics Studies — 52 papers