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We report on the result of quantum Monte Carlo simulation of quasi-one-dimensional electron systems at 1/4-filling, considering organic superconductors such as TMTSF- and TMTTF-salts. We focus on the effect of dimensionality (interchain…
Starting from the quantum Monte Carlo (QMC) prediction for the ground-state energy of a clean two-dimensional one-valley (2D1V) electron gas, we estimate the energy correction due to scattering sources present in actual devices such as AlAs…
The effect of a Zeeman magnetic field coupled to the spin of the electrons on the conducting properties of the disordered Hubbard model is studied. Using the Determinant Quantum Monte Carlo method, the temperature- and magnetic-field-…
Recent work on an electron-phonon model in two-dimensions is reviewed and some new results are presented. We utilize both Quantum Monte Carlo simulations and Migdal-Eliashberg theory. The type of electron-ion coupling considered is on-site.…
Motivated by the recent observation of correlated insulator states and unconventional superconductivity in twisted bilayer graphene, we study the dependence of electron correlations on the twist angle and reveal the existence of strong…
We investigate the role of the electron correlation effects in the calculations of the electric dipole polarizabilities (\alpha) of elements belonging to three different groups of periodic table. To understand the propagation of the…
The adsorption of highly \textit{oppositely} charged flexible polyelectrolytes (PEs) on a charged planar substrate is investigated by means of Monte Carlo (MC) simulations. We study in detail the equilibrium structure of the first few PE…
Projector Quantum-Monte-Carlo Method is used to examine effects of the spin-independent $U_{fd}$ as well as spin-dependent $J_z$ Coulomb interaction between the localized $f$ and itinerant $d$ electrons on the stability of various types of…
We apply the diagrammatic Monte Carlo approach to three-dimensional Fermi-polaron systems with mass-imbalance, where an impurity interacts resonantly with a noninteracting Fermi sea whose atoms have a different mass. This method allows to…
The one-dimensional extended Peierls-Hubbard model is studied at several band fillings using the density matrix renormalization group method. Results show that the ground state evolves from a Mott-Peierls insulator with a correlation gap at…
We discuss a projector Monte Carlo method for quantum spin models formulated in the valence bond basis, using the S=1/2 Heisenberg antiferromagnet as an example. Its singlet ground state can be projected out of an arbitrary basis state as…
We simulated the 3-band Hubbard model using the Constrained Path Monte Carlo (CPMC) method in search for a possible superconducting ground state. The CPMC is a ground state method which is free of the exponential scaling of computing time…
We simulate structural phase behavior of polymer-grafted colloidal particles by molecular Monte Carlo technique. Interparticle potential, which has a finite repulsive square-step outside a rigid core of the colloid, was previously confirmed…
Monte Carlo simulations based on a first-principles-derived Hamiltonian are conducted to study the properties of PZT alloys compositionally modulated along the [100] pseudocubic direction near the morphotropic phase boundary (MPB). It is…
In traditional scattering theory, the incident projectile is assumed to have an infinite coherence length. However, over the last decade, experimental and theoretical studies of collisions using heavy ion projectiles have shown that this…
We introduce a novel coarse-grained bead-spring model for flexible polymers to systematically examine the effects of an adjusted bonded potential on the formation and stability of structural macrostates in a thermal environment. The density…
We have performed extensive density matrix renormalization group (DMRG) studies of the Hubbard model on a honeycomb ladder. The band structure (with Hubbard U=0) exhibits an unusual quadratic band touching at half filling, which is…
In one-dimensional (1D) metallic systems, the diverging electron susceptibility and electron-phonon coupling collaboratively drive the electrons into a charge density wave (CDW) state. However, strictly 1D system is unstable against…
We employ the diagrammatic Monte Carlo method with a lattice path-integral formulation for both electron and phonon degrees of freedom to investigate the formation and properties of bond polarons and bipolarons on a two-dimensional…
By using the constrained-phase quantum Monte Carlo method, we performed a systematic study of the ground state of the half filled Hubbard model for a trilayer honeycomb lattice. We analyze the effect of the perpendicular electric field on…