@article{chizallet:hal-03601921, TITLE = {{Achievements and Expectations in the Field of Computational Heterogeneous Catalysis in an Innovation Context}}, AUTHOR = {Chizallet, C{\'e}line}, URL = {https://ifp.hal.science/hal-03601921}, JOURNAL = {{Topics in Catalysis}}, PUBLISHER = {{Springer Verlag}}, VOLUME = {65}, NUMBER = {1-4}, PAGES = {69-81}, YEAR = {2022}, MONTH = Feb, DOI = {10.1007/s11244-021-01489-y}, KEYWORDS = {Density functional theory ; multi-scale modeling ; descriptors ; industry}, PDF = {https://ifp.hal.science/hal-03601921/file/Achievements%20and%20Expectations%20in%20the%20Field%20of%20Computational%20Heterogeneous%20Catalysis%20in%20an%20Innovation%20Context.pdf}, HAL_ID = {hal-03601921}, HAL_VERSION = {v1}, }