Robert A DiStasio

22PUBLICATIONS
72CO-AUTHORS
Theoretical quantum chemistryPolymers and plasticsStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterComputational chemistryCatalysis and mechanisms of reactions
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Publications (22)

|Dec 17, 2025
Learning Molecular Conformational Energies Using Semilocal Density Fingerprints.

Zhuofan Shen, Yang Yang, Zachary M Sparrow

|Mar 14, 2025
Designing Polymers with Molecular Weight Distribution-Based Machine Learning.

Jenny Hu, Zachary M Sparrow, Brian G Ernst

|Nov 09, 2023
Selected Columns of the Density Matrix in an Atomic Orbital Basis I: An Intrinsic and Non-iterative Orbital Localization Scheme for the Occupied Space.

Eric G Fuemmeler, Anil Damle, Robert A DiStasio

|Oct 13, 2023
"Freedom of design" in chemical compound space: towards rational in silico design of molecules with targeted quantum-mechanical properties.

Leonardo Medrano Sandonas, Johannes Hoja, Brian G Ernst

|Jun 29, 2023
High-Throughput Condensed-Phase Hybrid Density Functional Theory for Large-Scale Finite-Gap Systems: The SeA Approach.

Hsin-Yu Ko, Marcos F Calegari Andrade, Zachary M Sparrow

|Aug 17, 2022
Elucidating Cathodic Corrosion Mechanisms with Operando Electrochemical Transmission Electron Microscopy.

Yao Yang, Yu-Tsun Shao, Xinyao Lu

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Frequent Collaborators

9 joint publications

Hsin-Yu Ko

6 joint publications

Brian G Ernst

5 joint publications

Ka Un Lao

4 joint publications

Zachary M Sparrow