Publications

2007 A stochastic approach to elucidating glioblastoma expansion Brenda Rubenstein · ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY · Scholar only — 2008 PHYS 493-Influence of entropic frustration upon protein binding and self-assembly Brenda Rubenstein · ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY · Scholar only — 2008 The Role of Extracellular Matrix in Glioma Invasion: A Cellular Potts Model Approach Brenda Rubenstein · Biophysical Journal 164 2010 Comparative Monte Carlo Efficiency by Monte Carlo Analysis Brenda Rubenstein · Physical Review E 5 2012 Auxiliary-Field Quantum Monte Carlo for Bose-Fermi Mixtures Brenda Rubenstein · Physical Review A 41 2012 Controlling the Folding and Binding of Proteins Using Polymer Brushes Brenda Rubenstein · Physical Review Letters 17 2013 Novel Quantum Monte Carlo Approaches for Quantum Liquids Brenda Rubenstein · PhDT · Scholar only — 2016 Auxiliary-Field Based Trial Wave Functions in Quantum Monte Carlo Calculations Brenda Rubenstein · Physical Review B 24 2016 Auxiliary-field based trial wave functions in quantum Monte Carlo simulations Brenda Rubenstein · Bulletin of the American Physical Society · Scholar only — 2016 Obtaining trial wavefunctions on the cheap: A stochastic approach to multideterminant wavefunctions in auxiliary field quantum Monte Carlo Brenda Rubenstein · ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY · Scholar only — 2016 Technical Reports-FY16 Q1-October-December 2015 Brenda Rubenstein · Lawrence Livermore National Laboratory (LLNL), Livermore, CA · Scholar only — 2017 Advances in the Computational Sciences: Symposium in Honor of Dr. Berni Alder’s 90th Birthday Brenda Rubenstein · World Scientific 5 2017 AFQMC in the infinite basis set limit: The accuracy of combining AFQMC with F12 methods Brenda Rubenstein · ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY · Scholar only — 2017 High-accuracy trial wave functions on the cheap: Stochastic variational algorithms for quantum chemistry Brenda Rubenstein · ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY · Scholar only — 2017 Introduction to the Variational Monte Carlo Method in Quantum Chemistry and Physics Brenda Rubenstein · Molecular Modeling and Simulation 19 2017 Variationally Optimized Slater-Jastrow Wave Functions for Constrained Path Quantum Monte Carlo Brenda Rubenstein · Bulletin of the American Physical Society · Scholar only — 2018 Ab Initio Finite Temperature Auxiliary Field Quantum Monte Carlo Brenda Rubenstein · Journal of Chemical Theory and Computation 53 2018 Accurate Predictions of Dipole-Bound Anion Binding Energies via Quantum Monte Carlo Brenda Rubenstein · The Journal of Physical Chemistry Letters 35 2018 Accurate simulation of weakly-Bound Dipole Anions Brenda Rubenstein · Bulletin of the American Physical Society · Scholar only — 2018 An Auxiliary Field Quantum Monte Carlo study of the Hubbard Kanamori model Brenda Rubenstein · Bulletin of the American Physical Society · Scholar only — 2018 Computing with Chemicals: Perceptrons Using Small Molecules Brenda Rubenstein · 2018 IEEE International Symposium on Information Theory (ISIT) 5 2018 Investigation of CdS/Se Surfaces: How Dipole Interaction and Impurities Influence the Growth Process Brenda Rubenstein · Bulletin of the American Physical Society · Scholar only — 2018 Mapping the Rydberg state potential energy curves of methyl iodide using ultrafast time-resolved photoelectron spectroscopy Brenda Rubenstein · ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY · Scholar only — 2018 Parallelized Linear Classification with Volumetric Chemical Perceptrons Brenda Rubenstein · 2018 IEEE International Conference on Rebooting Computing (ICRC) 9 2018 Pressure-Induced Phase Transformation and Bandgap Engineering of Formamidinium Lead Iodide Perovskite Nanocrystals Brenda Rubenstein · The Journal of Physical Chemistry Letters 107 2018 QMCPACK: An Open Source Ab Initio Quantum Monte Carlo Package for the Electronic Structure of Atoms, Molecules, and Solids Brenda Rubenstein · Journal of Physics: Condensed Matter 432 2018 Synthesis of All-Inorganic Cd-Doped CsPbCl3 Perovskite Nanocrystals with Dual-Wavelength Emission Brenda Rubenstein · The Journal of Physical Chemistry Letters 121 2018 Variational Monte Carlo Study of the Two-Dimensional Hubbard Model Using Slater-Jastrow Wave Functions Brenda Rubenstein · Bulletin of the American Physical Society · Scholar only — 2019 Ab Initio Finite Temperature Auxiliary Field Quantum Monte Carlo for Solids Brenda Rubenstein · APS March Meeting Abstracts 2019, R31 · Scholar only — 2019 Ab initio study of CH3I Rydberg states with spin-orbit coupling Brenda Rubenstein · ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY · Scholar only — 2019 A Language for Molecular Computation Brenda Rubenstein · Chem 6 2019 Auxiliary Field Quantum Monte Carlo for Multiorbital Hubbard Models: Controlling the Sign and Phase Problems to Capture Hund’s Physics Brenda Rubenstein · Physical Review B 21 2019 Computing with molecules: Storage and machine learning using mixtures of small organic molecules Brenda Rubenstein · ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY · Scholar only — 2019 Determining lattice distortion of Ba 2 NaOsO 6 Brenda Rubenstein · Bulletin of the American Physical Society · Scholar only — 2019 Doping metal ions into CsPbCl3 perovskite nanocrystals with improved optical properties for potential optoelectronic applications Brenda Rubenstein · ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY · Scholar only — 2019 Encoding information in synthetic metabolomes Brenda Rubenstein · PLOS ONE · needs review 35 2019 Evidence from First-Principles Calculations for Orbital Ordering in Ba2NaOsO6, a Mott Insulator with Strong Spin Orbit Coupling, from First Principles Brenda Rubenstein · Physical review. B./Physical review. B · needs review 16 2019 Maximizing Thermoelectric Figures of Merit by Uniaxially Straining Indium Selenide Brenda Rubenstein · The Journal of Physical Chemistry C 19 2019 Modeling actinide chemistry with spin-orbit coupled auxiliary field quantum Monte Carlo Brenda Rubenstein · ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY · Scholar only — 2019 Predicting the electron binding energies of dipole-bound anions via quantum Monte Carlo Brenda Rubenstein · ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY · Scholar only — 2019 Pressure induced transformation of formamidinium lead halide perovskite and quantum dot gold heterostructural nanocrystals Brenda Rubenstein · ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY · Scholar only — 2019 Strain-induced transformation and thermoelectric engineering of monolayer indium selenide Brenda Rubenstein · ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY · Scholar only — 2019 Trapped Ion Heating from Correlated Motion of Electrode Adsorbates Brenda Rubenstein · APS March Meeting Abstracts 2019, P05 · Scholar only — 2019 van der Waals-corrected density functional study of electric field noise heating in ion traps caused by electrode surface adsorbates Brenda Rubenstein · New Journal of Physics · Scholar only 14 2019 VdW-Corrected Density Functional Theory Study of Electric Field Noise Heating in Ion Traps Caused by Electrode Surface Adsorbates Brenda Rubenstein · New Journal of Physics 1 2020 Finite Temperature Auxiliary Field Quantum Monte Carlo in the Canonical Ensemble Brenda Rubenstein · The Journal of Chemical Physics 42 2020 First Principles Calculations of the EFG Tensors of Ba2NaOsO6, a Mott Insulator with Strong Spin Orbit Coupling Brenda Rubenstein · Journal of Physics: Condensed Matter · needs review 8 2020 First principles calculations of the electric field gradient tensors of Ba2NaOsO6, a Mott insulator with strong spin orbit coupling Brenda Rubenstein · Journal of Physics: Condensed Matter · Scholar only 9 2020 (Invited) Correlation in 2D Materials: Proximity Effects and Reactivity through the Lens of Quantum Monte Carlo Brenda Rubenstein · Electrochemical Society Meeting Abstracts · Scholar only — 2020 Metal-Insulator and Magnetic Phase Transitions of Ca2RuO4 from Auxiliary Field Quantum Monte Carlo and Dynamical Mean Field Theory Brenda Rubenstein · Physical review. B./Physical review. B 15