- The State of Fortran
2022/03/01 by Laurence Kedward, Balint Aradi, Bálint Aradi +18 · 2 voices · 3 citations
Computer Science · #Compiler #Computational Physics and Python Applications #Computer science #Feature (linguistics) #Fortran #Linguistics #Numerical Methods and Algorithms #Parallel Computing and Optimization Techniques #Programming language #Software engineering #State (computer science)
- LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
2021/09/22 by Aidan P. Thompson, H. Metin Aktulga, Hasan Metin Aktulga +20 · 660 citations
Biochemistry, Genetics and Molecular Biology · Materials Science · #Advanced Electron Microscopy Techniques and Applications #Atomic model #Computational science #Computer science #Electron and X-Ray Spectroscopy Techniques #Flexibility (engineering) #Fortran #Machine Learning in Materials Science #Massively parallel #Molecular dynamics #Parallel computing #Physics #Programming language #Python (programming language) #Source code
- VASPKIT: A User-friendly Interface Facilitating High-throughput Computing and Analysis Using VASP Code
2019/08/31 by Vei Wang, Nan Xu, Jin Cheng Liu +5 · 130 citations
Earth and Planetary Sciences · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Code generation #Compiler #Computational science #Computer science #Data structure #Electronic and Structural Properties of Oxides #Executable #Fortran #Graphical user interface #High-pressure geophysics and materials #Interface (matter) #Operating system #Programming language #Python (programming language) #Scripting language #Throughput #User Friendly #User interface #cond-mat.mtrl-sci
- What can the programming language Rust do for astrophysics?
2016/10/01 by S. Blanco-Cuaresma, Sergi Blanco-Cuaresma, Emeline Bolmont +1 · 2 voices
Computer Science · Physics and Astronomy · #Abstraction #Advanced Data Storage Technologies #Computer science #Fortran #Parallel Computing and Optimization Techniques #Programming language #Rust (programming language) #Scientific Research and Discoveries #Source code #astro-ph.IM #cs.PL
- Atomsk: A tool for manipulating and converting atomic data files
2015/08/07 by Pierre Hirel · 77 citations
Chemical Engineering · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Byte #Catalysis and Oxidation Reactions #Compiler #Computational science #Computer science #Fortran #Machine Learning in Materials Science #OS X #Operating system #Programming language #Scripting language #Software #Unix
- PyNeb: a new tool for analyzing emission lines
2014/10/28 by V. Luridiana, Valentina Luridiana, C. Morisset +2 · 2 citations
Physics and Astronomy · #Astro and Planetary Science #Astrophysics and Star Formation Studies #Atomic and Molecular Physics #Computational science #Computer science #Emission spectrum #Emissivity #Fortran #Ion #Ionization #Optics #Physics #Programming language #Python (programming language) #Scripting language #Software #Source code #Source lines of code #Spectral line #Toolbox #astro-ph.IM #astro-ph.SR
- ShengBTE: A solver of the Boltzmann transport equation for phonons
2014/02/26 by Wu Li, Jesús Carrete, Nebil A. Katcho +1 · 95 citations
Materials Science · #Advanced Thermoelectric Materials and Devices #Algorithm #Boltzmann equation #Byte #Computational science #Computer science #Fortran #Identifier #Machine Learning in Materials Science #Physics #Programming language #Python (programming language) #Quantum mechanics #Software #Solver #Subroutine #Thermal properties of materials
- Gibbs2: A new version of the quasiharmonic model code. II. Models for solid-state thermodynamics, features and implementation
2011/05/20 by Alberto Otero‐de‐la‐Roza, A. Otero-de-la-Roza, David Abbasi-Pérez +2 · 41 citations
Earth and Planetary Sciences · Engineering · Materials Science · #Algorithm #Byte #Compiler #Computational science #Computer science #Data file #Fortran #High-pressure geophysics and materials #Identifier #Lookup table #Material Dynamics and Properties #Phase Equilibria and Thermodynamics #Programming language #Software #Test data #Unix
- NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
2010/05/17 by Marat Valiev, M. Valiev, E.J. Bylaska +19 · 110 citations
Chemical Engineering · Physics and Astronomy · #Advanced Chemical Physics Studies #Byte #Catalysis and Oxidation Reactions #Computational science #Computer science #Fortran #Identifier #Modular design #Operating system #Parallel computing #Porting #Programming language #Python (programming language) #Scalability #Software #Source code #Spectroscopy and Quantum Chemical Studies #Supercomputer #Workstation #Xeon Phi
- Vbfnlo: A parton level Monte Carlo for processes with electroweak bosons
2008/11/30 by K. Arnold, M. Bähr, M. Bahr +28 · 44 citations
Mathematics · Physics and Astronomy · #Boson #Computer science #Electroweak interaction #Fortran #Hadron #Higgs boson #High-Energy Particle Collisions Research #Mathematics #Monte Carlo method #Particle physics #Particle physics theoretical and experimental studies #Parton #Physics #Programming language #Quantum Chromodynamics and Particle Interactions #Standard Model (mathematical formulation) #Vector boson #hep-ph
- Sociophysics simulations
2003/05/01 by D. Stauffer · 2 citations
Physics and Astronomy · Economics, Econometrics and Finance · #Opinion Dynamics and Social Influence #Complex Network Analysis Techniques #Complex Systems and Time Series Analysis #Fortran #Computer science #Simple (philosophy) #Computational science #Parallel computing #Theoretical computer science #Programming language
- ENIGMA: maximum-entropy method program package for huge systems
2002/03/22 by Hiroshi Tanaka, Masaki Takata, Eiji Nishibori +3 · 4 citations
Earth and Planetary Sciences · Materials Science · Physics and Astronomy · #Algorithm #Computational physics #Computational science #Computer graphics (images) #Computer science #Fast Fourier transform #Fortran #High-pressure geophysics and materials #Machine Learning in Materials Science #Maximum entropy method #Nuclear Physics and Applications #Operating system #Parallel computing #Physics #Software #Software package
- SBDART: A Research and Teaching Software Tool for Plane-Parallel Radiative Transfer in the Earth's Atmosphere
1998/10/01 by Paul Ricchiazzi, P. Ricchiazzi, Shiren Yang +3 · 31 citations
Earth and Planetary Sciences · Environmental Science · #Algorithm #Atmosphere (unit) #Atmospheric Ozone and Climate #Atmospheric aerosols and clouds #Atmospheric chemistry and aerosols #Atmospheric radiative transfer codes #Computation #Computational physics #Computational science #Computer science #Earth's energy budget #Environmental science #Fortran #Geology #Interface (matter) #Meteorology #Optics #Physics #Radiation #Radiative transfer #Remote sensing #Scattering #Software
- The GRED graphical editor for the GRADE parallel program development environment
1998/01/01 by Péter Kacsuk, Gábor Dózsa, Tibor Fadgyas +1 · 1 citation
Computer Science · #Code (set theory) #Computer science #Debugging #Distributed and Parallel Computing Systems #Event-driven programming #Field (mathematics) #Fortran #Inductive programming #Interconnection Networks and Systems #Message passing #Parallel Computing and Optimization Techniques #Procedural programming #Process (computing) #Programmer #Programming language #Programming paradigm #Representation (politics) #Visual programming language
- Algorithm 723: Fresnel integrals
1993/12/01 by W. Van Snyder · 1 citation
Physics and Astronomy · Mathematics · #Electromagnetic Scattering and Analysis #Mathematical functions and polynomials #Fresnel integral #Fortran #Fresnel number #Computer science #Applied mathematics #Mathematics #Algorithm #Fresnel diffraction #Physics #Optics #Programming language
- Photos — a universal Monte Carlo for QED radiative corrections in decays
1991/07/01 by E. L. Barberio, Elisabetta Barberio, Bob van Eijk +2 · 50 citations
Mathematics · Physics and Astronomy · #Bremsstrahlung #Computer science #Fermion #Fortran #High-Energy Particle Collisions Research #Interfacing #Logarithm #Mathematics #Matrix element #Monte Carlo method #Particle physics #Particle physics theoretical and experimental studies #Photon #Physics #Quantum Chromodynamics and Particle Interactions #Quantum mechanics #Radiative transfer #Soft photon #Statistical physics
- Exploiting fast matrix multiplication within the level 3 BLAS
1990/12/01 by Nicholas J. Higham · 1 citation
Computer Science · Mathematics · #Parallel Computing and Optimization Techniques #Matrix Theory and Algorithms #Numerical Methods and Algorithms #Strassen algorithm #Matrix multiplication #Computer science #Multiplication (music) #Linear algebra #Matrix (chemical analysis) #Set (abstract data type) #Fortran #Parallel computing #Implementation #Arithmetic #Stability (learning theory) #Multiplication algorithm #Algorithm #Mathematics #Binary number #Programming language
- An exact algorithm for the maximum clique problem
1990/11/01 by Randy Carraghan, Pãnos M. Pardalos, Panos M. Pardalos · 9 citations
Computer Science · Mathematics · #Advanced Graph Theory Research #Algorithm #Chordal graph #Clique #Clique problem #Combinatorics #Complexity and Algorithms in Graphs #Computer science #Fortran #Graph #Graph theory and applications #IBM #Mathematics #Programming language #Simple (philosophy) #Theoretical computer science
- An extended set of FORTRAN basic linear algebra subprograms
1988/03/01 by Jack Dongarra, Jeremy Du Croz, Sven Hammarling +1 · 5 citations
Computer Science · Mathematics · #Matrix Theory and Algorithms #Parallel Computing and Optimization Techniques #Distributed and Parallel Computing Systems #Linear algebra #Fortran #Computer science #Set (abstract data type) #Extension (predicate logic) #Implementation #Programming language #Algebra over a field #Parallel computing #Matrix (chemical analysis) #Mathematics #Pure mathematics
- Remark on “Algorithm 539: Basic Linear Algebra Subprograms for Fortran Usage”
1982/12/01 by David S. Dodson, Roger G. Grimes · 1 citation
Computer Science · Mathematics · #Numerical Methods and Algorithms #Polynomial and algebraic computation #Fortran #Computer science #Linear algebra #Algebra over a field #Parallel computing #Programming language #Mathematics #Pure mathematics
- A Fortran Program for Applying Sturm's Theorem in Counting Internal Rates of Return
1981/09/01 by Don B. Panton, William A. Verdini · 1 citation
Economics, Econometrics and Finance · Mathematics · #Stochastic processes and financial applications #Fortran #Parallel computing #Mathematics #Computer science #Arithmetic #Programming language
- Basic Linear Algebra Subprograms for Fortran Usage
1979/09/01 by C. L. Lawson, Richard Hanson, David R. Kincaid +1 · 10 citations
Computer Science · Engineering · Mathematics · #Numerical Methods and Algorithms #Polynomial and algebraic computation #Advanced Numerical Methods in Computational Mathematics #Fortran #Jet propulsion #Citation #Computer science #Thrust #Linear algebra #Programming language #Library science #Aerospace engineering #Mathematics #Engineering #Geometry
- The CRAY-1 computer system
1978/01/01 by Richard M. Russell · 4 citations
Computer Science · Mathematics · #Numerical Methods and Algorithms #Parallel Computing and Optimization Techniques #Digital Filter Design and Implementation #Fortran #Compiler #Computer science #Vectorization (mathematics) #Parallel computing #Programming language #Class (philosophy) #Vector processor #Supercomputer #Point (geometry) #Computational science #Operating system #Mathematics
- Automatic collection of powder data from photographs
1975/02/01 by E. J. Sonneveld, E.J. Sonneveld, Jan Visser +1 · 6 citations
Arts and Humanities · Chemistry · Materials Science · Mathematics · #Chemistry #Computer program #Computer science #Crystallography #Crystallography and molecular interactions #Cultural Heritage Materials Analysis #Data collection #Fortran #Geometry #Mathematics #Powder diffraction #Scaling #Statistics #X-ray Diffraction in Crystallography
- Numerical computation of root loci using the Newton-Raphson technique
1968/10/01 by R. Ash, G. Ash · 1 citation
Computer Science · Mathematics · #Matrix Theory and Algorithms #Numerical Methods and Algorithms #Newton's method #Computation #Fortran #Root (linguistics) #Computer science #Algorithm #Root-finding algorithm #Linear system #Iterative method #Applied mathematics #Mathematics #Mathematical optimization #Nonlinear system #Mathematical analysis #Programming language