🔬 Materials Science - nmarshall · Scour

$G_0W_0$@HF and BSE methods in periodic systems from Hartree-Fock theory: gaussian orbital and density fitting approach ⚛️Quantum Biology

Atomistic Modeling of Chemical Disorder in Materials: Bridging Classical Methods and AI-Assisted Approaches 🧬Computational Biology

Generative reconstruction of 2D and 3D polycrystalline microstructures using symmetrized hyperspherical harmonics 🌟Ray Tracing

Spin Response Properties in Electronically Robust Ferromagnetic Strained $\text{CrSiSe}_3$ Monolayer under External Electric Fields ⚡Energy Harvesting

Spatially-Localized Second Harmonic Generation via Spin Wave Concentration in Patterned YIG Structures 📡Antenna Theory

The Emergence of Photonic Crystalline Order and Time-Series Dynamics in NaCl Droplet Deposition 💧Microfluidics

Nanoscale Thermal Imaging of Dislocation-Mediated Heat Transport 📊Scientific Visualization

Ferroelectric polarization controlled orbital Hall conductivity in a higher-order topological insulator: \textit{d1T}-phase monolayer MoS$_2$ 🔋Battery Storage

Current induced magneto-optical Kerr effect as a probe of Dirac carriers in Bi$_{1-x}$Sb$_x$ alloy ⚡Energy Harvesting

Nearly perfect Fermi surface nesting in hole-doped La$_3$Ni$_2$O$_7$ enables bulk superconductivity without pressure or strain ⚡Electronics

Machine learning potential as a guide for eutectic in ultra-refractory multicomponent ceramics 🔥PyTorch

Spatial statistics for screening molecular structures 📐Computational Geometry

High-Throughput Bayesian Optimization of Cement-Salt Hydrates Composites for Seasonal Thermochemical Energy Storage ♻️Bioplastics

Observation of flat-bottom U-shaped energy gap in high-Tc nickelate (La,Pr)3Ni2O7 thin films 📜E-Ink Displays

Building a Regional Data-Centric Materials Science Ecosystem for Processing-Rich Materials Innovation in the Great Plains 🎨Shader Programming

Accurate computation of the electron-phonon interaction contribution to the total energy 🎨Shader Programming

Anomalous thermal and elastic properties of an epitaxial NiTi film exhibiting R-phase 🌡️Liquid Cooling

Ward identities and orbital magnetization in current density functional theory 🔢Homomorphic Encryption

Chemical Origins of Non-Bonded Interactions Within and Between Solids 💊Drug Discovery

Rongzai agent: A Large Language Model-Based Autonomous Assistant for Rietveld Refinement of Neutron Diffraction Data 🏗️AI Infrastructure

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