12 citations · 15 across the 10 of their papers we have counts for
10 papers
Finite-temperature Green's function cluster expansion from thermofield doubles: Breakdown of the polaron picture
M. R. Carbone, S. Fomichev, B. Kloss +4
We introduce a method, numerically exact in principle, for computing the momentum- and frequency-resolved single-particle Green's function of a polaron at finite temperature. The m…
Self-consistent GW theory for superconductivity in SrTiO3 models
Zhi-Hao Cui, John Sous, Andrew J. Millis +1
Superconductivity in doped SrTiO occurs over a wide range of carrier densities, including those for which the Fermi energy is below the polar longitudinal optical phonon scale.…
Study of the triangular-lattice Hubbard model with constrained-path quantum Monte Carlo
Shu Fay Ung, Ankit Mahajan, David R. Reichman
We benchmark constrained-path Monte Carlo (CPMC) on the triangular-lattice Hubbard model for several fillings and values and show that symmetry-adapted trial wave functions sub…
Evaluating Multiconfigurational Trials for Accurate Phaseless Auxiliary-Field Quantum Monte Carlo on 3d Transition Metal Complexes
Hung T. Vuong, Ankit Mahajan, John L. Weber +3
In this study, we evaluate multi-configurational trial wave function protocols for phaseless auxiliary field quantum Monte Carlo (ph-AFQMC) on transition metal containing systems.…
Field-Theoretic Simulation of Dean-Kawasaki Dynamics for Interacting Particles
Jaehyeok Jin, Chen Liu, David R. Reichman
The formulation of a fluctuating hydrodynamic theory for interacting particles is a crucial step in the theoretical description of liquids. The microscopic mappings proposed decade…
Beyond mean-field dynamics of the Dicke model with non-Markovian dephasing
Anqi Mu, Nathan Ng, Andrew J. Millis +1
We present a density matrix-based time dependent projection operator formalism to calculate the beyond mean-field dynamics of systems with non-Markovian local baths and one-to-all…
Theory of interaction-induced charge order in CrSBr
Zhi-Hao Cui, Andrew J. Millis, David R. Reichman
CrSBr is a layered van der Waals insulator with a quasi one-dimensional electronic structure and in-plane ferromagnetic order. Recent experimental work on Li-doped CrSBr reveals qu…
Scalable Training of Neural Network Potentials for Complex Interfaces Through Data Augmentation
In Won Yeu, Annika Stuke, Jon L. pez-Zorrilla +5
Artificial neural network (ANN) potentials enable highly accurate atomistic simulations of complex materials at unprecedented scales. Despite their promise, training ANN potentials…
Coupling of Electronic Transitions to Ferroelectric Order in a 2D Semiconductor
Chun-Ying Huang, Daniel G. Chica, Zhi-Hao Cui +16
A ferroelectric material often exhibits a soft transvers optical (TO) phonon mode which governs it phase transition. Charge coupling to this ferroelectric soft mode may further med…
Microscopic Phase-Field Modeling
Jaehyeok Jin, David R. Reichman
Phase-field methods offer a versatile computational framework for simulating large-scale morphological evolution. However, the applicability and predictability of phase-field model…