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We investigate the effects of randomness in a strongly correlated electron model in one-dimension at half-filling. The ground state correlation functions are exactly written by products of 3$\times$3 transfer matrices and are evaluated…
Polyelectrolyte complexation plays an important role in materials science and biology. The internal structure of the resultant polyelectrolyte complex (PEC) phase dictates properties such as physical state, response to external stimuli, and…
Ground state properties of multi-orbital Hubbard models are investigated by the auxiliary field quantum Monte Carlo method. A Monte Carlo technique generalized to the multi-orbital systems is introduced and examined in detail. The algorithm…
The adiabatic, Holstein-Hubbard model describes electrons on a chain with step $a$ interacting with themselves (with coupling $U$) and with a classical phonon field $\f_x$ (with coupling $\l$). There is Peierls instability if the electronic…
Lattice reconstruction in twisted transition-metal dichalcogenide (TMD) bilayers gives rise to piezo- and ferroelectric moir\'e potentials for electrons and holes, as well as a modulation of the hybridisation across the bilayer. Here, we…
Accurate numerical solution of the five-body Schrodinger equation is effected via variational Monte Carlo in a correlated quark model. The spectrum is assumed to exhibit a narrow resonance with strangeness S=+1. A fully antisymmetrized and…
We find that the spin susceptibility of a two-dimensional electron system with valley degeneracy does not grow critically at low densities, at variance with experimental results [A. Shashkin et al., Phys. Rev. Lett. 96, 036403 (2006)]. We…
A robust theory of the mechanism of pair density wave (PDW) superconductivity (i.e. where Cooper pairs have nonzero center of mass momentum) remains elusive. Here we explore the triangular lattice $t$-$J$-$V$ model, a low-energy effective…
Conformational properties of polymer melts confined between two hard structureless walls are investigated by Monte Carlo simulation of the bond-fluctuation model. Parallel and perpendicular components of chain extension, bond-bond…
Monte Carlo studies of many quantum systems face exponentially severe signal-to-noise problems. We show that noise arising from complex phase fluctuations of observables can be reduced without introducing bias using path integral contour…
We propose a Monte Carlo method, which is a hybrid method of the quantum Monte Carlo method and variational Monte Carlo theory, to study the Hubbard model. The theory is based on the off-diagonal and the Gutzwiller type correlation factors…
Combined effects of electron correlations and lattice distortions are investigated on the charge ordering in \theta-(BEDT-TTF)2RbZn(SCN)4 theoretically in a two-dimensional 3/4-filled extended Hubbard model with electron-lattice couplings.…
The behavior of highly charged short rod-like polyelectrolytes near oppositely charged planar surfaces is investigated by means of Monte Carlo simulations. A detailed microstructural study, including monomer and fluid charge distribution,…
We have studied Peierls instability in an atomically thin wire of sodium atoms using first-principles density-functional methods. A Na wire has a stable uniform linear structure over a range of inter-atomic distances. At smaller…
We develop a variational Monte Carlo (VMC) method for electron-phonon coupled systems. The VMC method has been extensively used for investigating strongly correlated electrons over the last decades. However, its applications to…
A simple yet paradigmatic model for the interplay of strong electronic correlations and geometric frustration is the triangular lattice Hubbard model. Recently it was proposed that moir\'e structures of transition metal dichalcogenides can…
A model is constructed in which pair potentials are combined with the cluster expansion method in order to better describe the energetics of structurally relaxed substitutional alloys. The effect of structural relaxations away from the…
Strong correlation effects, such as a dramatic increase in the effective mass of the carriers of electricity, recently observed in the low density electron gas have provided spectacular support for the existence of a sharp metal-insulator…
A discrete multistate kinetic model for water-wire proton transport is constructed and analyzed using Monte-Carlo simulations. The model allows for each water molecule to be in one of three states: oxygen lone pairs pointing leftward,…
We carry out a sign-problem-free quantum Monte Carlo calculation of a bilayer model with a repulsive intra-layer Hubbard interaction and a ferromagnetic inter-layer interaction. The latter breaks the global $SU(2)$ spin rotational symmetry…