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Ksenia R. Briling
Ksenia R. Briling
Другие именаКсения Брилинг
EPFL
Подтвержден адрес электронной почты в домене epfl.ch - Главная страница
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Процитировано
Год
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
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
52021
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
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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Статьи 1–13