The aim of the present study is to calculate the process of detonation combustion of hydrogen-air gas mixtures in engines. Development and verification of 3-d transient mathematical model of chemically reacting gas mixture flows incorporating hydrogen was performed. Development of a computational model based on the mathematical one for parallel computing on supercomputers incorporating central processing units (CPU) and graphics processing units (GPU) was carried out. Investigation of the influence of computational grid size on simulation precision and computational speed was performed. Investigation of calculation runtime acceleration was carried out subject to variable number of parallel threads on different architectures and implying different strategies of parallel computation. Copyright (C) 2015, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.