AbstractThe urban expansion‐induced heat can exacerbate heat stress for urban dwellers, especially during heat waves. With a focus on the intra‐urban variability of urban heat islands (UHIs) and thermal comfort, the urban parameterization within the Community Land Model version 5 (CLM5) was modified incorporating the local climate zones (LCZs) framework, named CLM5‐LCZs, to simulate the urban climate during a heat wave (HW) event in the summer of 2013. The evaluation of model performance demonstrated that it did a reasonable job of simulating surface energy balance and thermal regimes in cities against observational fluxes from a flux tower measurement site and temperatures from automatic meteorological stations in Nanjing, China. Then we investigated the characteristics and causes of UHIs associated with local background climate, intra‐urban inhomogeneity and HW intensity in East China. The results exhibited that daytime and nighttime canopy urban heat island intensity (CUHII) were highest in the Compact Low Rise (LCZ3) and the Compact High Rise (LCZ1) areas, respectively, while surface urban heat island intensity (SUHII) peaked in the Large Low Rise (LCZ8) and the Compact High Rise (LCZ1) areas during daytime and nighttime, respectively. Urban dwellers were easier exposed to serious heat environment in LCZ3 and LCZ1 areas over the north subtropical climate zone. Contrasts of CUHII and SUHII among different urban classes could exceed 1.7°C and 5.4°C. The intra‐urban heterogeneity may alter the dominant factors controlling SUHII, which were also modulated by local climate and HW intensity. Unlike other controlling factors, the impact of local climate on the contribution from the urban‐rural contrast of convection efficiency was larger than urban features. Overall, CLM5‐LCZs displayed potential of implementing detailed simulations for inter‐ and intra‐city UHIs at a larger scale, and enhancing the capabilities in modeling urban climate and exploring the causes and controls of UHIs.