LAPACK Users' Guide

• Acceleration of Semiempirical Electronic Structure Theory Calculations on Consumer-Grade GPUs Using Mixed-Precision Density Matrix Purification

  2025 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access

  3

  citations
• Multivariate estimation of substructure amplitudes for a single-wavelength anomalous diffraction experiment

  2023 Acta Crystallographica Section D Structural Biology article Materials Science Enzyme Structure and Function Open access

  1

  citations
• A Deterministic Adjoint-Based Semi-Analytical Algorithm for Fast Response Change Computations in Proton Therapy

  2023 Journal of Computational and Theoretical Transport article Medicine Radiation Therapy and Dosimetry Open access

  5

  citations
• First-principles Phonon Calculations with Phonopy and Phono3py

  2022 Journal of the Physical Society of Japan article Physics and Astronomy Advanced Chemical Physics Studies Open access cited by 1 patent

  1,840

  citations
• An adaptive rectangular mesh administration and refinement technique with application in cancer invasion models

  2022 Journal of Computational and Applied Mathematics article Computer Science Computational Geometry and Mesh Generation Open access

  6

  citations
• Generalization of Intrinsic Orbitals to Kramers-Paired Quaternion Spinors, Molecular Fragments, and Valence Virtual Spinors

  2021 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access

  39

  citations
• Dynamic Load Balancing for Coupled Simulation Methods

  2021 Springer eBooks book-chapter Engineering Computational Fluid Dynamics and Aerodynamics

  0

  citations
• SHEMAT-Suite: An open-source code for simulating flow, heat and species transport in porous media

  2020 SoftwareX software-paper Environmental Science Groundwater flow and contamination studies Open access

  21

  citations
• Automatic Generation of Efficient Linear Algebra Programs

  2020 Platform for Advanced Scientific Computing Conference (PASC) conference-paper Computer Science Parallel Computing and Optimization Techniques Open access

  7

  citations
• Dynamic load balancing for direct-coupled multiphysics simulations

  2020 Computers & Fluids article Engineering Advanced Numerical Methods in Computational Mathematics

  37

  citations

10 results