This study investigates the use of microalgae as a biosorbent to eliminate heavy metals ions from wastewater. The Chlorella kessleri microalgae species was employed to biosorb heavy metals from synthetic wastewater specimens. FTIR, and SEM/XRD analyses were utilized to characterize the microalgal biomass (the adsorbent). The experiments were conducted with several process parameters, including initial solution pH, temperature, and microalgae biomass dose. In order to secure the best experimental conditions, the optimum parameters were estimated using an integrated response surface methodology (RSM), desirability function (DF), and crow search algorithm (CSA) modeling approach. A maximum lead(II) removal efficiency of 99.54% was identified by the RSM–DF platform with the following optimal set of parameters: pH of 6.34, temperature of 27.71 °C, and biomass dosage of 1.5 g L−1. The hybrid RSM–CSA approach provided a globally optimal solution that was similar to the results obtained by the RSM–DF approach. The consistency of the model-predicted optimum conditions was confirmed by conducting experiments under those conditions. It was found that the experimental removal efficiency (97.1%) under optimum conditions was very close (less than a 5% error) to the model-predicted value. The lead(II) biosorption process was better demonstrated by the pseudo-second order kinetic model. Finally, simultaneous removal of metals from wastewater samples containing a mixture of multiple heavy metals was investigated. The removal efficiency of each heavy metal was found to be in the following order: Pb(II) > Co(II) > Cu(II) > Cd(II) > Cr(II).