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Yuri Cho

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Related publications (3)

Please note that this is not a complete list of this person’s publications. It includes only semantically relevant works. For a full list, please refer to Infoscience.

Related units (1)

Computational Molecular Design Laboratory

EPFL
SB
ISIC
LCMD

cell2mol: encoding chemistry to interpret crystallographic data

Rubén Laplaza Solanas, Anne-Clémence Corminboeuf, Sergio Vela Llausi, Yuri Cho

The creation and maintenance of crystallographic data repositories is one of the greatest data-related achievements in chemistry. Platforms such as the Cambridge Structural Database host what is likely the most diverse collection of synthesizable molecules ...

NATURE PORTFOLIO2022

Heteroatom oxidation controls singlet-triplet energy splitting in singlet fission building blocks

Anne-Clémence Corminboeuf, Sergio Vela Llausi, Yuri Cho, Maria Fumanal Quintana, Jacob Terence Blaskovits

Singlet fission (SF) is a promising multiexciton-generating process. Its demanding energy splitting criterion - that the S-1 energy must be at least twice that of T-1 - has limited the range of materials capable of SF. We propose heteroatom oxidation as a ...

Royal Society of Chemistry2022

Automated prediction of ground state spin for transition metal complexes

Rubén Laplaza Solanas, Anne-Clémence Corminboeuf, Yuri Cho

Exploiting crystallographic data repositories for large-scale quantum chemical computations requires the rapid and accurate extraction of the molecular structure, charge and spin from the crystallographic information file. Here, we develop a general approa ...

2024