In silico crystal growth rate prediction for NaCl from aqueous solution

The prediction of crystal growth rates from solution is a longstanding challenge and paramount opportunity for pharmaceuticals, materials science, biominer-alization, and beyond. This work overcomes the key obstacle by calculating solute attachment rates to the crystal surface via atomistic simulations and rare-event methods. These rates are combined with the multiscale spiral growth model to produce the first parameter-free in silico crystal growth rate predictions. Our results are in excellent agreement with experimental measurements for sodium chloride grown from aqueous solution.