SMILES-X: autonomous molecular compounds characterization for small datasets without descriptors
Guillaume Lambard, Ekaterina Gracheva
Computational Physics papers — page 199
physics.comp-phBrowse archive
Multi-physics simulations of lightning strike on elastoplastic substrates
Stephen Millmore, Nikolaos NikiforakisParameter sensitivity analysis of dynamic ice sheet models-Numerical computations
Gong Cheng, Per LötstedtParameter sensitivity analysis of dynamic ice sheet models
Gong Cheng, Per LötstedtKinematics and constitutive relations in the stress-gradient theory: interpretation by homogenization
Geralf Hütter, Karam Sab, Samuel ForestA low-rank method for time-dependent transport calculations
Zhuogang Peng, Ryan G. McClarren, Martin FrankDelayed-rate equations model for femtosecond laser-induced breakdown in dielectrics
Jean-Luc Déziel, Louis J. Dubé, Charles VarinMethod for the calculation of the Hamaker constants of organic materials by the Lifshitz macroscopic approach with DFT
Hideyuki Takagishi, Takashi Masuda, Tatsuya Shimoda et al.A Consistent Parallel Isotropic Unstructured Mesh Generation Method based on Multi-phase SPH
Zhe Ji, Lin Fu, Xiangyu Hu et al.Simulator-based training of generative models for the inverse design of metasurfaces
Jiaqi Jiang, Jonathan A. FanNeutron Diffraction Strain Tomography: Demonstration and Proof-of-Concept
A. W. T. Gregg, J. N. Hendriks, C. M. Wensrich et al.Using Gaussian Process Regression to Simulate the Vibrational Raman Spectra of Molecular Crystals
Nathaniel Raimbault, Andrea Grisafi, Michele Ceriotti et al.Eigenstructure-preserving scheme for a hyperbolic system
Takashi Shiroto, Akinobu Matsuyama, Nobuyuki AibaBoundary Conditions for Continuum Simulations of Wall-bounded Kinetic Plasmas
Petr Cagas, Ammar Hakim, Bhuvana SrinivasanNon-equilibrium Green's Function and First Principle Approach to Modeling of Multiferroic Tunnel Junctions
Robert Andrawis, Kaushik RoyDiscrete unified gas kinetic scheme for nonlinear convection-diffusion equations
Jinlong Shang, Zhenhua Chai, Huili Wang et al.Time-series learning of latent-space dynamics for reduced-order model closure
Romit Maulik, Arvind Mohan, Bethany Lusch et al.freud: A Software Suite for High Throughput Analysis of Particle Simulation Data
Vyas Ramasubramani, Bradley D. Dice, Eric S. Harper et al.Analog Coupled Oscillator Based Weighted Ising Machine
Jeffrey Chou, Suraj Bramhavar, Siddhartha Ghosh et al.Runko: Modern multiphysics toolbox for plasma simulations
J. NättiläGraph convolutional neural networks as "general-purpose" property predictors: the universality and limits of applicability
Vadim Korolev, Artem Mitrofanov, Alexandru Korotcov et al.A minimal model for slow, sub-Rayleigh, super-shear and unsteady rupture propagation along homogeneously loaded frictional interfaces
Kjetil Thøgersen, Henrik Andersen Sveinsson, David Skålid Amundsen et al.Free-energy cost of localizing a single monomer of a confined polymer
James M. Polson, Zakary R. N. McLureComputing Committor Functions for the Study of Rare Events Using Deep Learning
Qianxiao Li, Bo Lin, Weiqing RenFinding reaction pathways with optimal atomic index mappings
Deb Sankar De, Marco Krummenacher, Bastian Schaefer et al.