MobCal-MPI 2.0: an accurate and parallelized package for calculating field-dependent collision cross sections and ion mobilities
Alexander Haack, Christian Ieritano, W. Scott Hopkins
Abstract
scattering trajectories. Several enhancements made to the code are also discussed, including updates to the statistical analysis of collision event sampling and benchmarking of overall performance.
Topics & Concepts
Ion-mobility spectrometryCollisionComputer scienceField (mathematics)Computational physicsIonBenchmarkingComputational scienceChemistryPhysicsMathematicsMarketingComputer securityBusinessPure mathematicsOrganic chemistryMass Spectrometry Techniques and ApplicationsAnalytical chemistry methods developmentAnalytical Chemistry and Chromatography