Research Assisstant
See more information here.
Publications
Cooperative CO2 capture via oxalate formation on metal-decorated graphene
– Physical Review Materials
(2025)
9,
015401
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies.
– Faraday Discuss
(2025)
256,
120
(doi: 10.1039/d4fd00107a)
An accurate and efficient framework for predictive insights into ionic
surface chemistry
(2024)
It's Not a SKZCAM! Accurate Surface Chemistry at Low Cost
(2024)
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
– J Phys Chem Lett
(2024)
15,
6081
(doi: 10.1021/acs.jpclett.4c01030)
Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments.
– J Am Chem Soc
(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)
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