Jacopo Baima

Quantum‐mechanical condensed matter simulations with CRYSTAL

Roberto Dovesi, Alessandro Erba, Roberto Orlando et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2018 · 1.7K citations · Full text

Natural Sciences, Chemistry, Physics +17

The CRYSTAL code, 1976–2020 and beyond, a long story

Roberto Dovesi, Fabien Pascale, Bartolomeo Civalleri et al. · The Journal of Chemical Physics · 2020 · 214 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Large-Scale Condensed Matter DFT Simulations: Performance and Capabilities of the CRYSTAL Code

Alessandro Erba, Jacopo Baima, Ian J. Bush et al. · Journal of Chemical Theory and Computation · 2017 · 170 citations · Full text

Natural Sciences, High-performance Computing, Physics +17

Flat electronic bands in long sequences of rhombohedral-stacked graphene

Hugo Henck, J. Ávila, Zeineb Ben Aziza et al. · Physical review. B./Physical review. B · 2018 · 82 citations · Full text

Natural Sciences, Materials Science, Physics +17

Efficient and transferable machine learning potentials for the simulation of crystal defects in bcc Fe and W

Alexandra M. Goryaeva, Julien Dérès, Clovis Lapointe et al. · Physical Review Materials · 2021 · 73 citations · Full text

Natural Sciences, Computer Science, Materials Science +17