GPU Acceleration of Collinear and Noncollinear DFT Using a Numerical Atomic Orbital-Based DFT Code
Hiroyuki Kawai, Takuya Sekikawa, Taisuke Ozaki et al.
Computational Physics papers — page 10
physics.comp-phBrowse archive
AutoPot: Automated and massively parallelized construction of Machine-Learning Potentials
Max Hodapp, Guillaume AnciauxStochastic Density Functional Theory Through the Lens of Multilevel Monte Carlo Method
Xue Quan, Huajie ChenComputer-Assisted Proofs for Geometric Optimization: From Crystallization to Carbon Nanotubes
Miguel Ayala, Rustum Choksi, Benedikt WirthTotal-Lagrangian vectorial lattice Boltzmann method for finite-strain hyperelasticity with curved boundaries
Jingsen Feng, Xu ChuAcquiring Human-Like Data-Efficient Mechanics Prediction from Deep Reinforcement Learning
Jingruo Peng, Shuze ZhuElectromagnetic Characterization of Magnetic Ring: Case of Circular Cross-Section Shape
Taha El Hajji, Lars SjöbergConsensus-based adaptive sampling and approximation for high-dimensional energy landscapes
Liyao Lyu, Huan LeiTensor network compression using fluid dynamics as a testbed: Analytical foundations in one dimension
Matthew D. Horner, Callum W. Duncan, Oliver T. Brown et al.GEMINI: Generalized Ensnarlment Measure from Incomplete-linkage of Network-network Interactions
Yu Tian, Chinmayi Subramanya, Carl D. ModesSize and solvent effects on cellulose transverse anisotropy and toughening design
Xu DongSparse and low-rank kinetic distribution estimation
Georgii Oblapenko, Lambert Theisen, Rostislav-Paul Wilhelm et al.Reconstructing Unobservable Temperature Fields via Simulation-Aided Intelligent Sensing
Monika Stipsitz, Hèlios Sanchis-Alepuz, Jacob Reynvaan et al.Factorizing binary tensors into quantics tensor trains
Paul Haubenwallner, Matthias HellerATLAS-NN: Adaptive Transfer Learnable Symplectic-aware Neural Network for Long-Time Hamiltonian Dynamics
Changhong Mou, Dinghua Xu, Xiyue Zuo et al.Gradient estimators for parameter inference in discrete stochastic kinetic models
Ludwig Burger, Annalena Kofler, Lukas Heinrich et al.Flow-priority optimization of additively manufactured variable-TPMS lattice heat exchanger based on macroscopic analysis
Kazutaka Yanagihara, Jun Iwasaki, Kiyoto Saso et al.Causal Multi-fidelity Surrogate Forward and Inverse Models for ICF Implosions
Tyler E. Maltba, Ben S. Southworth, Jeffrey R. Haack et al.A Differentiable Framework for Full and Phaseless Data Inversion Using Neural Implicit Contrast-Source Representation
Haoran Sun, Daoqi Liu, Hongyu Zhou et al.The influence of volumetric shrinkage on the metal solidification process under localized energy deposition
Daniil V. Panov, Oleg A. Rogozin, Oleg V. VasilyevTransportBench: A Comprehensive Benchmark for Non-Equilibrium Flow Transport
Xu Wang, Minghao Li, Qizhen Hong et al.An efficient and energy stable framework for phase field simulations of grain growth in additive manufacturing
Chaoqian Yuan, Chinnapat Panwisawas, Ye LuMachine Learning-Driven Chemical Reactor Network Modeling of the Sandia-D Flame
Nicolas J. Tricard, Benjamin C. Koenig, Sili DengSequential Subspace Mode Adaptation for the Reduced-Order Homogenization of Dissipative Microstructures using E3C Hyper-Reduction
Hauke Goldbeck, Stephan WulfinghoffDifferentiable Particle-Mesh Ewald with Cartesian Tensor Message Passing for Learning Long-Range Electrostatics and Dipole Response
Zhiyue Guo, Junjie Wang, Haoting Zhang et al.