Titlebook: Supercomputing; 9th Russian Supercom Vladimir Voevodin,Sergey Sobolev,Rashit Shagaliev Conference proceedings 2023 The Editor(s) (if applic

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CubicEoS.jl: Extensible, Open-Source Isothermal Phase Equilibrium Calculations for Fluidste robustness of the solvers by calculation of binodals and equilibrium parameters for a number of mixtures modelled by a cubic and a SAFT-family equations of state. Additionally, we consider multi-threaded computation of a phase diagram. The solvers are based on quasi-Newton minimization of Helmhol

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Field-Split Iterative Solver Vs Direct One for Quasi-Static Biot Equation that vary with frequency for fluid-filled poroelastic materials. To solve the linear algebraic equations resulting from the finite difference discrectisation of the Biot equation, we propose an approach based on the BCSGStab iterative solver and a preconditioner technique based on a field-split app

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Multicriteria Optimization of Chemical Reactions Using Interval Analysis. Parallel Scheme for Implems for a multi-stage chemical process is considered. The mathematical model of kinetics is given in the form of an interval problem, according to the intervals of kinetic parameters, and its solution is carried out by a two-line method. This approach makes it possible to take into account possible fl

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Quantum-Chemical Study of Some Tris(pyrrolo)benzenes and Tris(pyrrolo)-1,3,5-triazines important task. The paper addresses to the study of properties of a number of promising high-energy tetracyclic compounds annelated with pyrrole nitro derivatives, by quantum-chemical methods within the Gaussian 09 software package. Optimized structures, enthalpies of formation, and IR absorption s