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Every paper Pith has read. Search by title, abstract, or pith.
3121 papers in cond-mat.mtrl-sci · page 4
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Stacking order directs electrons in MoS2/MoSe2 trilayers
Stacking-Directed Polarization and Excitonic Engineering in MoS$_2$/MoSe$_2$ van der Waals Heterostructures
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XY-mixer QAOA hits 86% on ZrO2 defect optima at depth 3
Constraint-Aware Quantum Optimization of Defect Configurations in Doped ZrO2: XY-Mixer QAOA and Grover Adaptive Search
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Ambipolar diffusion produces slanted Nyquist lines in EDL capacitors
The impedance of a charged flat-plate electric double-layer capacitor
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Reversible model sets lower bound on Seebeck coefficient
Revisiting Theoretical Modeling of Seebeck Coefficient of Semiconductors
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500-config dataset trains NEP that captures UO2 superionic anomalies
The FAST Framework: Developing a Data-Efficient Machine Learning Potential to Decode Superionic Transition-Induced Thermophysical and Kinetic Anomalies in UO2 under Extreme Conditions
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Transcapacitor cuts logic energy by 100 times via capacitance modulation
Solid-state transcapacitor, a new gain element for logic, memory and interconnects
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Defects prefer AlN domain walls and steer their motion
Interaction between point defects and vertical inversion domain walls in wurtzite AlN
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Framework creates stable star and cyclic polymer starts for LAMMPS
A Topology-Preserving Python Framework for Reliable Initialization of Star and Cyclic Polymer Architectures in Molecular Dynamics (LAMMPS) Simulations
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Pretrained ML potential matches WS2 plasma coverages without tuning
Fine-Tuning a Universal Machine-Learned Interatomic Potential for Oxygen Plasma Interactions with WS$_2$
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Vapor deposition creates denser
Perspective: Highly stable vapor-deposited glasses
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Mirror symmetry splits opposite-helicity modes in hexagonal photonic crystal
Mirror-Symmetry-Enforced Photonic Altermagnet
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Framework learns spatial data to reveal alloy control features
Interpretable Material Spatial Intelligence for Discovery of Governing Microstructural Features
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Nitrogen topology switches graphene voids to semiconductor or metal
Peripheral Nitrogen Topology as a Defect-Chemical Switch for Electronic and Magnetic States in Graphene: A First-Principles Study of Pyridinic, Pyridazinic, Pyrrolic, and Pyrazolic Configurations
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ML predicts metallic glass cooling rates from entropy plus three sim features
Machine learning metallic glass critical cooling rates through elemental and molecular simulation based featurization
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KuboMap turns conductivity formula into real-space transport map
Real-Space Mapping of Electronic Conductivity in Complex Materials
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Ultrathin ABO3 films produce spontaneous out-of-plane BPV
Bulk Photovoltaic Effect in Two-Dimensional Perovskite Oxides
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FFT-Chebyshev solver reaches 256^3 grids with any boundary conditions
An FFT-based solver with general boundary conditions for stationary diffusion problems based on Chebyshev collocation
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Continuous bridge lets language models steer atomistic diffusion for crystals
Atomistic Language Models Understand and Generate Materials
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Light driving induces AMR and AHE in altermagnets
Floquet-induced anisotropic magnetoresistance and anomalous Hall effect in 2D $d$-wave altermagnets with Rashba spin-orbit coupling
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Strain switches Fe3GeTe2 monolayer to conical spin spiral
Strain induced magnetic phase transitions in Fe3GeTe2 monolayer
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Two-stage radical process forms curved hard carbon from PVDC
Atomistic Mechanisms of Hard Carbon Formation from Polyvinylidene Chloride
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DFT references, not ML model, drive 0.67 V error in Na-cathode voltages
Computational references are not experiments: pre-registered validation of machine-learned sodium-cathode voltages
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Absorption sets upper bounds on photonic gap Chern numbers
Bounds on the Topological Charge of Photonic Systems
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WO2Cl2 shows room-temperature ferroelectricity with 2.8 eV gap
Room-Temperature Noncolinear Ferroelectricity in van der Waals WO$_2$Cl$_2$ with a Wide Bandgap
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Divide-and-conquer DFT cuts ground-state cost to linear scaling for TDDFT
SALMON 2.3: Implementation of divide-and-conquer ground-state initialization for large-scale real-time TDDFT
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Graphene nanoribbons host edge states without net Chern number
Propagating edge and interfacial states in corrugated graphene: Robustness and configurability
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Perpendicular field converts soliton lattice to fan state in chiral magnet
Quasi-1D Spin Textures: From Chiral Soliton Lattice to Fan State
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Ambient AFM noise from liquid necks supplies chemical contrast
Deciphering Noise in tip--sample Interactions: Insights into Nanoscale Dynamics
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Strain suppresses density waves in trilayer nickelates but superconductivity stays absent
Persistent structural distortions and absent superconductivity in trilayer nickelate thin films
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Silicon biosensors reach lab sensitivity but stall before clinic
Silicon Nanostructures for Biosensing: From Field-Effect Transistors to Photonic Resonators, and the Long Road to the Clinic
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Distorted Er square net produces anisotropic AFM order and metamagnetic jumps
Magnetic Anisotropy and Metamagnetic Transitions in Er3Pt2Sb4.55 with A Distorted Square Net Lattice
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Trivial layer stacks create tunable quantum spin Hall states
Controllable Quantum Spin Hall Phases in Bi$_2$Te$_3$-Family van der Waals Heterobilayers
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Defect-free a-Si model matches experimental bandgap
A Defect-Free Model of Amorphous Silicon with Pristine Electronic Structure
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Topology optimization yields lattices with three-edge polarization mismatch
Boosting lattice polarization Mixing the perspectives of geometry optimization and cell-augmentation
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Meta-learning cuts Pareto error 78% in spin-crossover search
Interpretable Meta-Learning for Multi-Objective Chemical Search
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Polymer diffusion fronts keep same shape with or without source
Polymer-polymer interdiffusion: effects of entanglements and a polymeric source
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Plasma etch thins diamond to 300 nm for photonic substrates
Plasma Etch Process Optimization for Photonic-Grade Diamond-on-Insulator Substrates and Thickness Evaluation using Colorimetry
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Symmetry break yields tenfold better out-of-plane varactors at 10 GHz
Breaking symmetry to create a parallel-plate varactor dielectric with unparalleled microwave performance
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Nilsson model separates Burstein-Moss shift from renormalization in ZnO
Effective masses, Burstein-Moss shift, and bandgap renormalization in degenerate Al-doped ZnO from broadband ellipsometry and Hall measurements
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Phosphorus-doped triangulene yields tunable flat bands
Tunable Flat Bands and magnetism in Triangulene-based Superatomic Graphene
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Longer ligands cut exciton transport in perovskite NC films
Exciton Transport in Disordered Perovskite Nanocrystal Solids
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RuO2 weak surface magnetism read out by WSe2 valley states
Anomalous magneto-optical response at $\mathrm{RuO_2 / WSe_2}$ van der Waals interface
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Tessellation BCs create single clear localization bands in concrete models
On representation of macroscopic crack in periodic fine-scale discrete mechanical models
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Antiferromagnet surfaces host large spin splitting
Large spin splitting at ferromagnetic surfaces of bulk antiferromagnets
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Electric fields toggle CrSBr bilayer between AFM and FM states
Electric-field-driven magnetic switching and tightly bound interlayer excitons in bilayer CrSBr
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LAPW reaches Hartree-Fock limit to few μHa for solids
Hartree-Fock Limit for Energies in Solids
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InSb/CdTe produces THz second harmonics under in-plane magnetic field
Terahertz frequency upconversion by coherently driving charge dynamics in the InSb/CdTe heterostructure
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Tube shear bound caps polymer nonlinear index at 3
Constraint-Limited Tube Orientation of Entangled Polymers in Oscillatory Shear Deformation
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Method predicts excitons accurately in mismatched 2D stacks
Quantitative prediction of excitons in lattice-mismatched van der Waals heterostructures
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Sliding controls reversible spin splitting in 2D altermagnets
Interplay of Altermagnetism and Coupled Quasi-Altermagnetic states in Sliding Two-dimensional Square Lattice