Eric M Collins

6PUBLICATIONS
1CO-AUTHORS
Geospatial information systems and geospatial data modellingComputational chemistryTheoretical quantum chemistryDeep learning
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Publications (6)

|Apr 17, 2024
Stepping-Stone CBH: Benchmark and Application of a Multilayered Isodesmic-Based Correction Scheme.

Eric M Collins, Krishnan Raghavachari

|Jun 20, 2023
Approaching Coupled Cluster Accuracy with Density Functional Theory Using the Generalized Connectivity-Based Hierarchy.

Krishnan Raghavachari, Sarah Maier, Eric M Collins

|May 03, 2023
Interpretable Graph-Network-Based Machine Learning Models via Molecular Fragmentation.

Eric M Collins, Krishnan Raghavachari

|Apr 04, 2023
Quantitative Prediction of Vertical Ionization Potentials from DFT via a Graph-Network-Based Delta Machine Learning Model Incorporating Electronic Descriptors.

Sarah Maier, Eric M Collins, Krishnan Raghavachari

|Aug 03, 2021
A Fragmentation-Based Graph Embedding Framework for QM/ML.

Eric M Collins, Krishnan Raghavachari

|Jul 18, 2020
Effective Molecular Descriptors for Chemical Accuracy at DFT Cost: Fragmentation, Error-Cancellation, and Machine Learning.

Eric M Collins, Krishnan Raghavachari

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Frequent Collaborators

6 joint publications

Krishnan Raghavachari