Leon Otis

6PUBLICATIONS
14CO-AUTHORS
Theoretical quantum chemistryNonlinear optics and spectroscopyTransport properties and non-equilibrium processesElectrical energy storageStatistical mechanics in chemistry
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Publications (6)

|Aug 31, 2026
Selecting Optimal Unrestricted Hartree-Fock Trial Wave Functions for Phaseless Auxiliary-Field Quantum Monte Carlo: Accuracy and Limitations in Modeling Three Iron-Sulfur Clusters.

|Apr 04, 2026
The Curious Case of Dual Emission in 9,10-Bis(phenylethynyl)anthracene.

Jakub K Sowa, Colette M Sullivan, Leon Otis

|Dec 16, 2025
Noncovalent Interaction Energies with Phaseless Auxiliary-Field Quantum Monte Carlo.

Devesh Awasthi, Leon Otis, Emily Huang

|Oct 24, 2025
A Scalable Route to First-Order Response Properties with Correlated Sampling Phaseless Auxiliary-Field Quantum Monte Carlo.

Leon Otis, Saisrinivas Gudivada, Marvin Friede

|Mar 18, 2025
Strongly Correlated States of Transition Metal Spin Defects: The Case of an Iron Impurity in Aluminum Nitride.

Leon Otis, Yu Jin, Victor Wen-Zhe Yu

|Jan 20, 2023
Optimization Stability in Excited-State-Specific Variational Monte Carlo.

Leon Otis, Eric Neuscamman

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Frequent Collaborators

3 joint publications

James Shee

1 joint publications

Eric Neuscamman

1 joint publications

Yu Jin

1 joint publications

Victor Wen-Zhe Yu