Trine Kay Quady

Cornell University — United States

Materials Science · Physical Sciences

2h-index13citations6works1.02yr avg
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Research Topics

Machine Learning in Materials Science(3), X-ray Diffraction in Crystallography(2), Advanced Chemical Physics Studies(1), Metal-Organic Frameworks: Synthesis and Applications(1), Computational Drug Discovery Methods(1)

Publications6 total

Learning Molecular Conformational Energies Using Semilocal Density Fingerprints
The Journal of Physical Chemistry Letters·2025
Selectively enabling linear combination of atomic orbital coefficients to improve linear method optimizations in variational Monte Carlo
Molecular Physics·2025
Aufbau Suppressed Coupled Cluster As a Post-Linear-Response Method
Journal of Chemical Theory and Computation·2025· 1 cited
Method-independent cusps for atomic orbitals in quantum Monte Carlo
The Journal of Chemical Physics·2025· 3 citedOpen Access
Uniting Nonempirical and Empirical Density Functional Approximation Strategies Using Constraint-Based Regularization
The Journal of Physical Chemistry Letters·2022· 9 cited
CASE21: Uniting Non-Empirical and Semi-Empirical Density Functional Approximation Strategies using Constraint-Based Regularization
arXiv (Cornell University)·2021Open Access

Frequent Co-authors

Zachary M. Sparrow(3), Brian G. Ernst(3), Robert A. DiStasio(3), Eric Neuscamman(3), Sonja Bumann(1), Harrison Tuckman(1), Zhuofan Shen(1), Yang Yang(1), Richard Kang(1), J.-H. Lee(1), Yanyu Yang(1), Lijie Tu(1)