Nowadays, homogeneous charge compression ignition (HCCI) engines are becoming very popular because they have simultaneously low emissions of nitrogen oxides (NOx) and soot. However, they have problems such as i) narrow operating load range, ii) irregular combustion phasing. To overcome these, various strategies such as variable compression ratio, exhaust gas recirculation, water injection, mixture stratification, etc., are being tried. However, direct water injection is found to be better to control the combustion phasing and to improve the performance because it can also reduce knocking. Although, the effectiveness of the water injection depends on in-cylinder water evaporation, which in turn depends on the water injector configuration and injection parameters. Nevertheless, less attention is paid to improve the characteristics of water evaporation, which is the key reason for enhancing the engine’s performance and emission characteristics. Furthermore, in-cylinder aspects of water injection are rarely reported in the literature. Therefore, the present CFD analysis focuses on enhancing the upper load limit with better water evaporation characteristics. It provides the deep insight on the effect of water injector spray pattern, water injector orientation, water injection timings, and water-fuel ratio on water evaporation, performance, and emission characteristics of a HCCI engine.