290 citations · 788 across the 25 of their papers we have counts for
26 papers
A first-principles study of bilayer 1T'-WTe2/CrI3: A candidate topological spin filter
Daniel Staros, Brenda Rubenstein, Panchapakesan Ganesh
The ability to manipulate electronic spin channels in 2D materials is crucial for realizing next-generation spintronics. Spin filters are spintronic components that polarize spins…
Self-consistent convolutional density functional approximations: Application to adsorption at metal surfaces
Sushree Jagriti Sahoo, Qimen Xu, Xiangyun Lei +5
The exchange-correlation (XC) functional in density functional theory is used to approximate multi-electron interactions. A plethora of different functionals is available, but near…
A Stable, Recursive Auxiliary Field Quantum Monte Carlo Algorithm in the Canonical Ensemble: Applications to Thermometry and the Hubbard Model
Tong Shen, Hatem Barghathi, Jiangyong Yu +2
Many experimentally-accessible, finite-sized interacting quantum systems are most appropriately described by the canonical ensemble of statistical mechanics. Conventional numerical…
Machine Learning Diffusion Monte Carlo Forces
Cancan Huang, Brenda M. Rubenstein
Diffusion Monte Carlo (DMC) is one of the most accurate techniques available for calculating the electronic properties of molecules and materials, yet it often remains a challenge…
Error Cancellation in Diffusion Monte Carlo Calculations of Surface Chemistry
Gopal R. Iyer, Brenda M. Rubenstein
Diffusion Monte Carlo (DMC) is being recognized as a higher-accuracy, albeit more computationally expensive, alternative to Density Functional Theory (DFT) for energy predictions o…
Gaussian Processes for Finite Size Extrapolation of Many-Body Simulations
Edgar Josué Landinez Borda, Kenneth O. Berard, Annette Lopez +1
Key to being able to accurately model the properties of realistic materials is being able to predict their properties in the thermodynamic limit. Nevertheless, because most many-bo…