Research Assisstant
See more information here.
Publications
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies
– Faraday Discussions
(2024)
(doi: 10.1039/d4fd00107a)
Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters.
– Journal of chemical theory and computation
(2024)
20,
5306
(doi: 10.1021/acs.jctc.4c00379)
To Pair or Not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water
– The Journal of Physical Chemistry Letters
(2024)
15,
6081
(doi: 10.1021/acs.jpclett.4c01030)
Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments
– Journal of the American Chemical Society
(2023)
145,
25372
(doi: 10.1021/jacs.3c09616)
Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in
Oxide-Supported Nanoclusters
(2023)
Accurate and efficient structure factors in ultrasoft pseudopotential and projector augmented wave DFT
– Physical Review B
(2023)
108,
115112
(doi: 10.1103/PhysRevB.108.115112)
Accurate and efficient structure factors in ultrasoft pseudopotential
and projector augmented wave DFT
(2022)
General embedded cluster protocol for accurate modeling of oxygen vacancies in metal-oxides
– Journal of Chemical Physics
(2022)
156,
124704
(doi: 10.1063/5.0087031)