- Ab initio many-body quantum embedding and local correlation in crystalline materials using interpolative separable density fitting
2026/01/23 by Junjie Yang, Ning Zhang, Shunyue Yuan +5 · 2 citations
Materials Science · Physics and Astronomy · #Ab initio #Advanced Chemical Physics Studies #Cluster (spacecraft) #Correlation #Density matrix #Embedding #Linear scale #Machine Learning in Materials Science #Physics of Superconductivity and Magnetism #Quantum #Scaling #Separable space
- Scaling policy iteration based reinforcement learning for unknown discrete-time linear systems
2024/11/12 by Zhen Pang, Pang, Zhen, Shengda Tang +5 · 1 citation
Computer Science · Engineering · Mathematics · #Adaptive Dynamic Programming Control #Advanced Sensor and Control Systems #Applied mathematics #Artificial intelligence #Computer science #Control (management) #Control theory (sociology) #Discrete time and continuous time #Elevator Systems and Control #Engineering #FOS: Mathematics #Linear scale #Linear system #Mathematical analysis #Mathematical optimization #Mathematics #Optimization and Control (math.OC) #Reinforcement #Reinforcement learning #Scaling #Statistics
- Radial Transport in the Earth’s Radiation Belts: Linear, Quasi-linear, and Higher-order Processes
2023/11/24 by Adnane Osmane, Emilia Kilpua, Harriet George +2 · 3 citations
Earth and Planetary Sciences · Physics and Astronomy · #Astrophysics #Azimuth #Computational physics #Diffusion #Electron #High-pressure geophysics and materials #Ionosphere and magnetosphere dynamics #Linear scale #Magnetosphere #Nuclear physics #Optics #Particle acceleration #Physics #Plasma #Radiation #Scaling #Seismic Waves and Analysis #Van Allen Probes #Van Allen radiation belt
- Mitigating linear optics imperfections via port allocation and compilation
2021/03/04 by Shreya P. Kumar, Leonhard Neuhaus, Kumar, Shreya P. +12 · 1 citation
Computer Science · Engineering · Physics and Astronomy · #Astronomical interferometer #Computer science #Electronic engineering #Engineering #FOS: Physical sciences #Interferometry #Linear scale #Neural Networks and Reservoir Computing #Optical Network Technologies #Optics #Optics (physics.optics) #Photonic and Optical Devices #Photonics #Physics #Port (circuit theory) #Power (physics) #Power consumption #Quantum Physics (quant-ph) #Unitary state #physics.optics #quant-ph
- Self-consistent GW method: O(N) algorithm for polarizability and self energy
2019/11/30 by Andrey Kutepov, Andrey L. Kutepov · 1 citation
Earth and Planetary Sciences · Mathematics · Physics and Astronomy · #Advanced Condensed Matter Physics #Algorithm #Code (set theory) #Computational physics #Computer science #Energy (signal processing) #Geometry #High-pressure geophysics and materials #Linear scale #Mathematics #Molecule #Optoelectronics #Physics #Physics of Superconductivity and Magnetism #Polarizability #Quadratic equation #Quantum electrodynamics #Quantum mechanics #Scaling #Self consistent #Self-energy #Silicon #cond-mat.mtrl-sci
- Cost-effective description of strong correlation: Efficient implementations of the perfect quadruples and perfect hextuples models
2016/09/01 by Susi Lehtola, John Parkhill, Martin Head-Gordon · 2 citations
Chemistry · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced Physical and Chemical Molecular Interactions #Atomic orbital #Implementation #Linear scale #Linear subspace #Magnetism in coordination complexes #Polynomial #Quartic function #Scaling #Space (punctuation) #Tensor (intrinsic definition) #cond-mat.str-el #physics.chem-ph #physics.comp-ph
- Statistics and Properties of Low-Frequency Vibrational Modes in Structural Glasses
2016/04/30 by Edan Lerner, Gustavo Düring, Eran Bouchbinder · 6 citations
Materials Science · Mathematics · Physics and Astronomy · #Anharmonicity #Condensed matter physics #Crossover #Exponent #Frequency dependence #Glass properties and applications #Linear scale #Low frequency #Material Dynamics and Properties #Mathematics #Molecular vibration #Molecule #Normal mode #Nuclear magnetic resonance #Physics #Quantum mechanics #Quartic function #Scaling #Statistical physics #Statistics #Theoretical and Computational Physics #Vibration #cond-mat.soft #cond-mat.stat-mech
- Machine Learning for Quantum Mechanical Properties of Atoms in Molecules
2015/05/31 by Matthias Rupp, Raghunathan Ramakrishnan, O. Anatole von Lilienfeld · 5 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · Mathematics · Physics and Astronomy · #Atom (system on chip) #Atoms in molecules #Chemical physics #Computational Drug Discovery Methods #Computer science #Core (optical fiber) #Density functional theory #Geometry #Linear scale #Locality #Machine Learning in Materials Science #Mathematics #Molecular physics #Molecule #Observable #Optics #Physics #Protein Structure and Dynamics #Proton #Quantum #Quantum mechanics #Scaling #Statistical physics #physics.chem-ph
- High-order quantum algorithm for solving linear differential equations
2010/10/31 by Dominic W. Berry, Dominic W Berry · 5 citations
Computer Science · Mathematics · Physics and Astronomy · #Differential equation #Linear differential equation #Linear scale #Quantum #Quantum Computing Algorithms and Architecture #Quantum Information and Cryptography #Quantum algorithm #Quantum algorithm for linear systems of equations #Quantum computer #Quantum many-body systems #Quantum phase estimation algorithm #cs.NA #math.NA #quant-ph
- Two-center-multipole expansion method: Application to macromolecular systems
2007/04/12 by Ilia A. Solov'yov, Ilia A. Solov’yov, Alexander V. Yakubovich +3 · 1 citation
Biochemistry, Genetics and Molecular Biology · Chemistry · Materials Science · Mathematics · Physics and Astronomy · #Chemistry #Computer science #DNA and Nucleic Acid Chemistry #Enzyme Structure and Function #Fast multipole method #Geology #Geometry #Linear scale #Macromolecule #Mathematics #Multipole expansion #Physics #Protein Structure and Dynamics #Quantum mechanics #Scaling #Scaling law #Statistical physics #physics.bio-ph #physics.comp-ph
- Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculations
2006/12/21 by Petr Jurečka, Jiří Černý, Pavel Hobza +1 · 2 citations
Biochemistry, Genetics and Molecular Biology · Chemistry · Physics and Astronomy · Mathematics · #DNA and Nucleic Acid Chemistry #Crystallography and molecular interactions #Advanced Chemical Physics Studies #Basis set #Density functional theory #van der Waals force #Ab initio #Dispersion (optics) #Wave function #Chemistry #Scaling #London dispersion force #Computational chemistry #Linear scale #Function (biology) #Statistical physics #Molecular physics #Quantum mechanics #Physics #Mathematics #Molecule #Geometry
- Ab InitioLinear Scaling Response Theory: Electric Polarizability by Perturbed Projection
2003/12/31 by Valery Weber, Valéry Weber, Anders Niklasson +2 · 1 citation
Mathematics · Physics and Astronomy · #Ab initio #Advanced Chemical Physics Studies #Density functional theory #Electric field #Exponential function #Linear scale #Mathematical analysis #Mathematics #Perturbation theory (quantum mechanics) #Physics #Polarizability #Projection (relational algebra) #Quantum electrodynamics #Quantum mechanics #Scaling #Spectroscopy and Quantum Chemical Studies #Theoretical and Computational Physics #Time-dependent density functional theory #cond-mat.mtrl-sci
- Density-functional method for very large systems with LCAO basis sets
1997/01/01 by Daniel S�nchez-Portal, Daniel Sánchez‐Portal, Pablo Ordej�n +3 · 58 citations
Chemistry · Engineering · Mathematics · Physics and Astronomy · #Advanced Chemical Physics Studies #Algorithm #Atomic orbital #Basis (linear algebra) #Basis function #Basis set #Chemistry #Computational chemistry #Density functional theory #Density matrix #Electron #Geometry #Hybrid functional #Linear combination of atomic orbitals #Linear scale #Mathematics #Molecular Junctions and Nanostructures #Orbital-free density functional theory #Orthogonalization #Physics #Quantum mechanics #Scaling #Spectroscopy and Quantum Chemical Studies #Statistical physics #Time-dependent density functional theory #Wave function
- On Measurement, Scale, and Scaling
1986/02/01 by John H. Cushman · 2 citations
Earth and Planetary Sciences · Engineering · Mathematics · #Algorithm #Artificial intelligence #Computer science #Convolution (computer science) #Field (mathematics) #Geodesy #Geology #Geometry #Geophysical and Geoelectrical Methods #Linear scale #Mathematics #Physics #SIGNAL (programming language) #Scale (ratio) #Scaling #Statistical physics #Structural Health Monitoring Techniques #Ultrasonics and Acoustic Wave Propagation