YetAnotherSimulationSuite.jl: An Atomic Simulation Suite in Julia

YetAnotherSimulationSuite.jl (YASS) is software for atomic simulations in Julia.YASS aims to be highly performant, memory efficient, flexible, and extensible.YASS was developed with a focus on making it incredibly easy to add or customize anything within the package, making niche research methods more accessible to the average user.YASS features a wide variety of capabilities useful for molecular simulations including: reading and writing over 20 different file types, basic manipulation of atomic structures, geometry and cell optimization, harmonic frequency calculation, calculation of velocity autocorrelation, molecular dynamics simulation, evaluation of radial and angular distribution functions.

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Publication Details

Journal
The Journal of Open Source Software
Published
2025-12-19
DOI
https://doi.org/10.21105/joss.09480
Primary Topic
Quantum, superfluid, helium dynamics
Type
article
Field-Weighted Citation Impact
0.00
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article

YetAnotherSimulationSuite.jl: An Atomic Simulation Suite in Julia

Brian C. Ferrari
The Journal of Open Source Software
Quantum, superfluid, helium dynamics
article

YetAnotherSimulationSuite.jl: An Atomic Simulation Suite in Julia

Brian C. Ferrari
article en

Abstract

YetAnotherSimulationSuite.jl (YASS) is software for atomic simulations in Julia.YASS aims to be highly performant, memory efficient, flexible, and extensible.YASS was developed with a focus on making it incredibly easy to add or customize anything within the package, making niche research methods more accessible to the average user.YASS features a wide variety of capabilities useful for molecular simulations including: reading and writing over 20 different file types, basic manipulation of atomic structures, geometry and cell optimization, harmonic frequency calculation, calculation of velocity autocorrelation, molecular dynamics simulation, evaluation of radial and angular distribution functions.

The Journal of Open Source SoftwareVol. 10(116)
Leiden University (NL)
Openalex Percentile: Top 66%
Quantum, superfluid, helium dynamics
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