Zachary M. Sparrow

Cornell University — United States

Materials Science · Physical Sciences

5h-index93citations18works4.02yr avg
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Research Topics

Machine Learning in Materials Science(10), Computational Drug Discovery Methods(5), Metal-Organic Frameworks: Synthesis and Applications(2), Crystallography and molecular interactions(2), Advanced Chemical Physics Studies(1)

Publications18 total

Learning Molecular Conformational Energies Using Semilocal Density Fingerprints
The Journal of Physical Chemistry Letters·2025
Designing Polymers with Molecular Weight Distribution-Based Machine Learning
Journal of the American Chemical Society·2025· 12 cited
Compound data for Designing Polymers with Molecular Weight Distribution Based Machine Learning
eCommons (Cornell University)·2025Open Access
High-Throughput Condensed-Phase Hybrid Density Functional Theory for Large-Scale Finite-Gap Systems: The <tt>SeA</tt> Approach
Journal of Chemical Theory and Computation·2023· 11 cited
High-Throughput Condensed-Phase Hybrid Density Functional Theory for Large-Scale Finite-Gap Systems: The SeA Approach
arXiv (Cornell University)·2022Open Access
Uniting Nonempirical and Empirical Density Functional Approximation Strategies Using Constraint-Based Regularization
The Journal of Physical Chemistry Letters·2022· 9 cited
NENCI-2021. I. A large benchmark database of non-equilibrium non-covalent interactions emphasizing close intermolecular contacts
The Journal of Chemical Physics·2021· 29 citedOpen Access
CASE21: Uniting Non-Empirical and Semi-Empirical Density Functional Approximation Strategies using Constraint-Based Regularization
arXiv (Cornell University)·2021Open Access
CASE21: Uniting Non-Empirical and Semi-Empirical Density Functional\n Approximation Strategies using Constraint-Based Regularization
arXiv (Cornell University)·2021· 1 citedOpen Access
Designer Potential Energy Surfaces via Magnetic Interactions
Bulletin of the American Physical Society·2021
NENCI-2020: A Large Benchmark Database of Non-Equilibrium Non-Covalent Interactions with an Emphasis on Close Contacts
Bulletin of the American Physical Society·2021
NENCI-2021 Part I: A Large Benchmark Database of Non-Equilibrium Non-Covalent Interactions Emphasizing Close Intermolecular Contacts
arXiv (Cornell University)·2021· 2 citedOpen Access
stoBEST: an efficient methodology for increased spatial resolution in two-component molecular tagging velocimetry
Measurement Science and Technology·2020· 1 cited
Tuning the Mechanical Properties of Metallopolymers via Ligand Interactions: A Combined Experimental and Theoretical Study
Macromolecules·2020· 28 cited
NENCI-2020: A Large Benchmark Non-Equilibrium Non-Covalent Interaction Database with Emphasis on the Repulsive Wall
Bulletin of the American Physical Society·2020
Improving the Scalability of Condensed-Phase Hybrid Density Functional Theory: Computation, Communication, and Load Balancing
Bulletin of the American Physical Society·2020
Quantum Chemistry Simulations for Dynamic Network Polymers
Bulletin of the American Physical Society·2019
Attacking the Strong and Weak Scaling Limits in Linear Scaling Hybrid Density Functional Theory
Bulletin of the American Physical Society·2019

Frequent Co-authors

Robert A. DiStasio(17), Brian G. Ernst(9), Paul T. Joo(4), Ka Un Lao(4), Hsin-Yu Ko(3), Trine Kay Quady(3), Yuval Vidavsky(2), Michael Buche(2), Meredith N. Silberstein(2), Spencer Mattes(2), Brett P. Fors(2), Marcos F. Calegari Andrade(2), Junteng Jia(2), Lijie Tu(2), Hsin‐Yu Ko(2), Xinyue Zhang(1), Steven J. Yang(1), Jenny Hu(1), Geoffrey W. Coates(1), Ju-an Zhang(1)