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Ksenia R. Briling
Ksenia R. Briling
Other namesКсения Брилинг
Verified email at epfl.ch - Homepage
Title
Cited by
Cited by
Year
Comment on “A new parametrizable model of molecular electronic structure”[J. Chem. Phys. 135, 134120 (2011)]
KR Briling
The Journal of chemical physics 147 (15), 157101, 2017
152017
Learning on-top: Regressing the on-top pair density for real-space visualization of electron correlation
A Fabrizio, KR Briling, DD Girardier, C Corminboeuf
The Journal of Chemical Physics 153 (20), 204111, 2020
112020
Learning (from) the Electron Density: Transferability, Conformational and Chemical Diversity
A Fabrizio, K Briling, A Grisafi, C Corminboeuf
CHIMIA International Journal for Chemistry 74 (4), 232-236, 2020
102020
SPA HM: the spectrum of approximated Hamiltonian matrices representations
A Fabrizio, KR Briling, C Corminboeuf
Digital Discovery 1 (3), 286-294, 2022
92022
Atomic effective potentials for starting molecular electronic structure calculations
DN Laikov, KR Briling
Theoretical Chemistry Accounts 139, 1-4, 2020
82020
Learning the Exciton Properties of Azo-dyes
S Vela, A Fabrizio, KR Briling, C Corminboeuf
The Journal of Physical Chemistry Letters 12, 5957-5962, 2021
52021
Impact of quantum-chemical metrics on the machine learning prediction of electron density
KR Briling, A Fabrizio, C Corminboeuf
The Journal of Chemical Physics 155 (2), 024107, 2021
42021
Heptalene Synthesis by Addition of Aryl Acetylenes to Azulenes
KR Briling, DN Laikov
Russian Journal of Organic Chemistry 56, 569-575, 2020
32020
Benchmarking machine-readable vectors of chemical reactions on computed activation barriers
P van Gerwen, KR Briling, YC Alonso, M Franke, C Corminboeuf
Digital Discovery, 2024
12024
SPAHM(a,b): Encoding the Density Information from Guess Hamiltonian in Quantum Machine Learning Representations
KR Briling, Y Calvino Alonso, A Fabrizio, C Corminboeuf
Journal of Chemical Theory and Computation 20 (3), 1108-1117, 2024
2024
Encoding quantum-chemical knowledge into machine-learning models of complex molecular properties
K Briling
EPFL, 2024
2024
EquiReact: An equivariant neural network for chemical reactions
P van Gerwen, KR Briling, C Bunne, VR Somnath, R Laplaza, A Krause, ...
arXiv preprint arXiv:2312.08307, 2023
2023
Получение гепталенов присоединением арилацетиленов к азуленам
КР Брилинг, ДН Лайков
Журнал органической химии 56 (4), 514-521, 2020
2020
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Articles 1–13