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Publications

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2026 A Many-Body Characterization of the Fundamental Gap in Monolayer CrI3 Brenda Rubenstein · npj 2D Materials and Applications 2 2026 Lubricin’s Mucin Domain Has Strong Polyproline Type II Character Brenda Rubenstein · Computational and Structural Biotechnology Journal 1 2026 Modeling Stochastic Chemical Kinetics on Quantum Computers Brenda Rubenstein · The Journal of Chemical Physics 2 2026 Quantum Computing Beyond Ground State Electronic Structure: A Review of Progress Toward Quantum Chemistry Out of the Ground State Brenda Rubenstein · Annual Review of Physical Chemistry 3 2026 Reducing the Cost of Unitary Coupled Cluster via Active Space Partitioning Brenda Rubenstein · Journal of Chemical Theory and Computation 0 2026 Revealing EDL-Driven Reduction Mechanisms in Binary, Ternary, and Quaternary Fluorinated Electrolytes via an Integrated MD-DFT-ML Framework Brenda Rubenstein · EES Batteries 0 2026 Synthesis of Palladium Nanocluster-Decorated Cs3Sb2Cl9 Perovskite Heterostructural Nanorods for Enhanced CO2 Photoreduction Brenda Rubenstein · Advanced Functional Materials 1 2026 Worldwide Innovative Network (WIN) Consortium: Building a Common Global Cancer Database Brenda Rubenstein · JCO Global Oncology 1 2025 Compound Mutations in Abl1 Kinase Cause Inhibitor Resistance by Shifting DFG Flip Mechanisms and Relative State Populations Brenda Rubenstein · eLife · needs review 6 2025 Identifying Band Inversions in Topological Materials Using Diffusion Monte Carlo Brenda Rubenstein · Journal of Chemical Theory and Computation 5 2025 Mobility of Four Isostructural Regions Drives Isoform-Specific Properties of Plant LPOR Brenda Rubenstein · Journal of Biological Chemistry 3 2025 Modeling Solvated Phosphoryl Transfer using Machine Learning Potentials and Transfer Learning Brenda Rubenstein · APS Global Physics Summit · Scholar only 2025 Quantum Computing the Climate? Brenda Rubenstein · APS Global Physics Summit · Scholar only 2025 Towards Improved Property Prediction of Low-Dimensional Materials Using Many-Body Quantum Monte Carlo Methods Brenda Rubenstein · Applied Physics Reviews 17 2025 Weighted Ensemble Simulations with the Drude Polarizable Model Brenda Rubenstein · Journal of Computational Chemistry 1 2024 A First-Principles Study of Bilayer 1T'-WTe2/CrI3: A Candidate Topological Spin Filter Brenda Rubenstein · npj Spintronics 5 2024 Art of Molecular Programming Brenda Rubenstein · World Scientific 2024 Atomistic Descriptor Optimization Using Complementary Euclidean and Geodesic Distance Information Brenda Rubenstein · Molecular Physics 3 2024 Cover Feature: Self‐Consistent Convolutional Density Functional Approximations: Application to Adsorption at Metal Surfaces (ChemPhysChem 10/2024) Brenda Rubenstein · ChemPhysChem · Scholar only · needs review 2024 Detecting Band Inversions in Topological Insulators with Diffusion Monte Carlo Brenda Rubenstein · APS March Meeting Abstracts 2024, Y17 · Scholar only 2024 Disentangling the Physics of the Attractive Hubbard Model via the Accessible and Symmetry-Resolved Entanglement Entropies Brenda Rubenstein · Physical Review B 6 2024 Elucidating the Role of Dimensionality on the Electronic Structure of the Van der Waals Antiferromagnet NiPS3 Brenda Rubenstein · Advanced Physics Research 17 2024 Final Technical Report for Award DE-SC0019441 “Bridging the time scale in exascale computing of chemical systems” Brenda Rubenstein · Brown University · Scholar only 2024 Force-Free Identification of Minimum-Energy Pathways and Transition States for Stochastic Electronic Structure Theories Brenda Rubenstein · Journal of Chemical Theory and Computation 6 2024 Gaussian Processes for Finite-Size Extrapolation of Many-Body Simulations Brenda Rubenstein · Faraday Discussions 6 2024 High-Throughput Prediction of Protein Conformational Distributions with Subsampled AlphaFold2 Brenda Rubenstein · Nature Communications · needs review 230 2024 Is Stochastic Thermodynamics the Key to Understanding the Energy Costs of Computation? Brenda Rubenstein · Proceedings of the National Academy of Sciences 93 2024 Lowering Activation Barriers to Success in Physical Chemistry (LABSIP): A Community Project Brenda Rubenstein · The Journal of Physical Chemistry A 13 2024 Mobility of Four Structural Regions Drives Isoform-Specific Properties of Plant LPOR Brenda Rubenstein · bioRxiv, 2024.10 · Scholar only 2024 NISQ Computing the Climate Brenda Rubenstein · APS March Meeting Abstracts 2024, K49 · Scholar only 2024 Predicting relative populations of protein conformations without a physics engine using AlphaFold2 Brenda Rubenstein · Biophysical Journal · Scholar only 2024 Protecting and Improving Human Health White Paper Brenda Rubenstein · Proceedings of the 2024 Materials Genome Initiative 2024 Reimaging Chemistry: Cultivating Conscious Scientists Through Contextual Learning and Diverse Perspectives in STEM Education Brenda Rubenstein · STEM Education and Culturally Sustaining Pedagogies 2024 Repurposing Waste Chemicals for Sustainable and Durable Molecular Storage Brenda Rubenstein · ACS Omega 2 2024 Self-consistent Convolutional Density Functional Approximations: Formulation and Application to Adsorption at Metal Surfaces Brenda Rubenstein · ChemPhysChem · needs review 16 2024 SPRAGUE L. 1, NANGUNERI R. 1, IYER G. Brenda Rubenstein · ABSTRACTS · Scholar only 2024 Stochastic and low-scaling techniques/extended systems: general discussion Brenda Rubenstein · Faraday Discussions · Scholar only 2024 Towards controlling local excitons with chiral edge states in the terraced bilayer 1T'-WTe2/CrI3 Brenda Rubenstein · APS March Meeting Abstracts 2024, Z39 · Scholar only 2024 Tuning Pd Catalytic Selectivity on Intermetallic B2-CuPd@Pd Core/Shell Structures for High-Performance Polymer Synthesis Brenda Rubenstein · ACS Nano 2024 VMC Optimization of Ultra-Compact, Explicitly-Correlated Wave Functions of the Li Isoelectronic Sequence in Its Lowest 1s2s2p Quartet State Brenda Rubenstein · Chemical Physics Letters 3 2023 Accurate electronic ground- and excited-state properties of 2D CrI3 and its heterostructures Brenda Rubenstein · APS March Meeting Abstracts 2023, T00 · Scholar only 2023 Advancing Chemistry and Quantum Information Science: An Assessment of Research Opportunities at the Interface of Chemistry and Quantum Information Science in the United States Brenda Rubenstein · The National Academies Press 2023 A Stable, Recursive Auxiliary Field Quantum Monte Carlo in the Canonical Ensemble: Applications to Thermometry and the Hubbard Model Brenda Rubenstein · Physical Review E 15 2023 Auxiliary-Field Quantum Monte Carlo for Calculating the Renyi and Accessible Entanglement Entropies Brenda Rubenstein · APS March Meeting Abstracts 2023, M61 · Scholar only 2023 Digital Circuits and Neural Networks Based on Acid-Base Chemistry Implemented Using Robotic Fluid Handling Brenda Rubenstein · Nature Communications 15 2023 Enabling Pd catalytic selectivity via engineering intermetallic core@shell structure Brenda Rubenstein · ACS Nano · Scholar only 10 2023 Methods of chemical computation Brenda Rubenstein · US Patent 11,790 · Scholar only 2023 Methods of chemical computation Brenda Rubenstein · US Patent App · Scholar only 9 2023 Molecular Data Storage Using Cost-Free Molecular Libraries Brenda Rubenstein · U.S. Provisional Application No. 63/531208 · needs review 3 2023 Mutations in a human kinase cause drug resistance by shifting conformational state distributions Brenda Rubenstein · Biophysical Journal · Scholar only
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2026 · article · journal

A Many-Body Characterization of the Fundamental Gap in Monolayer CrI3

npj 2D Materials and Applications · Brenda Rubenstein

in CV in OpenAlex on Scholar
2Scholar citations
1OpenAlex citations

From the CV

lines 122–124 · published

9.​ $Staros, D., Gasperich, K., Annaberdiyev, A., Benali, A., Ganesh, P., and *#B.M. Rubenstein. AMany-Body Characterization of the Fundamental Gap in Monolayer CrI3. npj 2D Materials andApplications. 10, 12 (2026). arXiv:2506.17038v. [Electronic Structure]

Peer reviewed
yes
First author
Staros
Co-authors
$Staros, D.; Gasperich, K.; Annaberdiyev, A.; Benali, A.; Ganesh, P.; *#B.M. Rubenstein
Subfield
other
Method
none
Invited
none
Publisher
none
Reprint or translation
none
DOI
10.1038/s41699-025-00650-5
OpenAlex
W7124436490

Where each field came from

FieldCVOpenAlexScholar
title A Many-Body Characterization of the Fundamental Gap in Monolayer CrI3 (used)A many-body characterization of the fundamental gap in monolayer CrI3A many-body characterization of the fundamental gap in monolayer CrI3
year 2026 (used)20262026
venue npj 2D Materials and Applications (used)npj 2D Materials and Applicationsnpj
kind article (used)articleother
DOI 10.1038/s41699-025-00650-5 (used)10.1038/s41699-025-00650-5
first author StarosStaros (used)Staros

The value in bold is the one the record uses.

How the records were joined

  • doi merged · 1.00 · Run 18