Prediction of perovskite-related structures in ACuO3-x (A = Ca, Sr, Ba, Sc, Y, La) using density functional theory and Bayesian optimization
Atsuto Seko, Shintaro Ishiwata
Computational Physics papers — page 177
physics.comp-phBrowse archive
Database development and exploration of microstructure versus process relationships using variational autoencoders
Srihari Sundar, Veera SundararaghavanAtomic structures and orbital energies of 61,489 crystal-forming organic molecules
Annika Stuke, Christian Kunkel, Dorothea Golze et al.Determination of Glass Transition Temperature of Polyimides from Atomistic Molecular Dynamics Simulations and Machine-Learning Algorithms
Chengyuan Wen, Binghan Liu, Josh Wolfgang et al.One-dimensional moving window atomistic framework to model long-time shock wave propagation
Alexander Davis, Vinamra AgrawalElectron Groups in Solar Wind and Gas Discharge Plasmas
Vladimir Kolobov, Robert Arslanbekov, Dmitry LevkoAn arbitrary-order Cell Method with block-diagonal mass-matrices for the time-dependent 2D Maxwell equations
Bernard Kapidani, Lorenzo Codecasa, Joachim SchöberlIntroduction to molecular dynamics simulations
K. Vollmayr-LeeMachine learning models for the secondary Bjerknes force between two insonated bubbles
Haiyan Chen, Yue Zeng, Yi LiFirst-principles studies of electronic properties in Lithium metasilicate (Li2SiO3)
Nguyen Thi Han, Vo Khuong Dien, Ngoc Thanh Thuy Tran et al.Simplified Unified Wave-Particle Method with Quantified Model-Competition Mechanism for Numerical Calculation of Multi-Scale Flows
Sha Liu, Chengwen Zhong, Ming FangModal characterization of thermal emitters using the Method of Moments
Denis Tihon, Stafford Withington, Christophe CraeyeA sparse-grid probabilistic scheme for approximation of the runaway probability of electrons in fusion tokamak simulation
Minglei Yang, Guannan Zhang, Diego del-Castillo-Negrete et al.A Perspective on Regression and Bayesian Approaches for System Identification of Pattern Formation Dynamics
Zhenlin Wang, Bowei Wu, Krishna Garikipati et al.On the Application of Numerical Methods to Hallen's Equation: The Case of a Lossy Medium
Christos Mystilidis, Panagiotis J. Papakanellos, George Fikioris et al.Efficient Discrete-Event Based Particle Tracking Simulation for High Energy Physics
Lucio Santi, Lucas Rossi, Rodrigo Castroi-flow: High-dimensional Integration and Sampling with Normalizing Flows
Christina Gao, Joshua Isaacson, Claudius KrauseSurface waves from flexural and compressional resonances of beams
Jean-Jacques Marigo, Kim Pham, Agnès Maurel et al.Physics-Constrained Bayesian Neural Network for Fluid Flow Reconstruction with Sparse and Noisy Data
Luning Sun, Jian-Xun WangInvestigating the use of field solvers for simulating classical systems
Andrew Eberhardt, Arka Banerjee, Michael Kopp et al.A Mass-transfer Particle-tracking Method for Simulating Transport with Discontinuous Diffusion Coefficients
Michael J. Schmidt, Nicholas B. Engdahl, Stephen D. Pankavich et al.Plasma Stratification in Radio-Frequency Discharges of Noble Gases
Vladimir I Kolobov, Robert R Arslanbekov, Dmitry Levko et al.Modeling transport of charged species in pore networks: solution of the Nernst-Planck equations coupled with fluid flow and charge conservation equations
Mehrez Agnaou, Mohammad Amin Sadeghi, Thomas George Tranter et al.Azimuthal decomposition study of a realistic laser profile for efficient modeling of Laser WakeField Acceleration
Imen Zemzemi, Francesco Massimo, Arnaud BeckPolarized Gaussian basis sets from one-electron ions
Susi Lehtola