A priori control of zeolite phase competition and intergrowth with high-throughput simulations

Submitted by dskoda on Sun, 2021-09-19 08:01

D. Schwalbe-Koda, Kwon, S., Paris, C., Bello-Jurado, E., Jensen, Z., Olivetti, E. A., Willhammar, T., Corma, A., Román-Leshkov, Y., Moliner, M., and Gómez-Bombarelli, R., “A priori control of zeolite phase competition and intergrowth with high-throughput simulations”, Science, p. eabh3350, 2021.