234 citations · 656 across the 14 of their papers we have counts for
14 papers
PyQMC: an all-Python real-space quantum Monte Carlo module in PySCF
William A. Wheeler, Shivesh Pathak, Kevin Kleiner +11
We describe a new open-source Python-based package for high accuracy correlated electron calculations using quantum Monte Carlo (QMC) in real space: PyQMC. PyQMC implements modern…
Excited states in variational Monte Carlo using a penalty method
Shivesh Pathak, Brian Busemeyer, João N. B. Rodrigues +1
The authors present a technique using variational Monte Carlo to solve for excited states of electronic systems. The technique is based on enforcing orthogonality to lower energy s…
Response to Comment on "The role of electron-electron interactions in two-dimensional Dirac fermions"
Ho-Kin Tang, J. N. Leaw, J. N. B. Rodrigues +4
Hesselmann {\it et al}.~question one of our conclusions, namely, the suppression of Fermi velocity at the Gross-Neveu critical point for the specific case of vanishing long-range i…
Identifying materials with charge-spin physics using charge-spin susceptibility computed from first principles
J. N. B. Rodrigues, Lucas K. Wagner
The authors present a quantity termed charge-spin susceptibility, which measures the charge response to spin degrees of freedom in strongly correlated materials. This quantity is s…
The role of electron-electron interactions in two-dimensional Dirac fermions
Ho-Kin Tang, J. N. Leaw, J. N. B. Rodrigues +4
The role of electron-electron interactions on two-dimensional Dirac fermions remains enigmatic. Using a combination of nonperturbative numerical and analytical techniques that inco…
Electric Field-Tuned Topological Phase Transition in Ultra-Thin Na3Bi - Towards a Topological Transistor
James L. Collins, Anton Tadich, Weikang Wu +11
The electric field induced quantum phase transition from topological to conventional insulator has been proposed as the basis of a topological field effect transistor [1-4]. In thi…
Spatial Charge Inhomogeneity and Defect States in Topological Dirac Semimetal Thin Films
Mark T. Edmonds, James L. Collins, Jack Hellerstedt +5
The close approach of the Fermi energy EF of a Dirac semimetal to the Dirac point ED uncovers new physics such as velocity renormalization,1,2,3 and the Dirac plasma 4,5 at |EF -ED…
Intervalley scattering of graphene massless Dirac fermions at 3-periodic grain boundaries
J. N. B. Rodrigues
We study how low-energy charge carriers scatter off periodic and linear graphene grain boundaries oriented along the zigzag direction with a periodicity three times greater than th…
Interaction driven metal-insulator transition in strained graphene
Ho-Kin Tang, E. Laksono, J. N. B. Rodrigues +3
The question of whether electron-electron interactions can drive a metal to insulator transition in graphene under realistic experimental conditions is addressed. Using three repre…
Electronic transport across linear defects in graphene
C. J. Páez, J. N. B. Rodrigues, A. L. C. Pereira +1
We investigate the low-energy electronic transport across grain boundaries in graphene ribbons and infinite flakes. Using the recursive Green's function method, we calculate the el…
Tunable room-temperature ferromagnet using an iron-oxide and graphene oxide nanocomposite
Aigu L. Lin, J. N. B. Rodrigues, Chenliang Su +7
Magnetic materials have found wide application ranging from electronics and memories to medicine. Essential to these advances is the control of the magnetic order. To date, most ro…
Scattering by linear defects in graphene: a tight-binding approach
J. N. B. Rodrigues, N. M. R. Peres, J. M. B. Lopes dos Santos
We develop an analytical scattering formalism for computing the transmittance through periodic defect lines within the tight-binding model of graphene. We first illustrate the meth…
Thermodynamics of a Potts-like model for a reconstructed zigzag edge in graphene nanoribbons
J. N. B. Rodrigues, P. A. D. Gonçalves, Jaime E. Santos +1
We construct a three-color Potts-like model for the graphene zigzag edge reconstructed with Stone-Wales carbon rings, in order to study its thermal equilibrium properties. We consi…
Zigzag graphene nanoribbon edge reconstruction with Stone-Wales defects
J. N. B. Rodrigues, P. A. D. Gonçalves, N. F. G. Rodrigues +3
In this article, we study zigzag graphene nanoribbons with edges reconstructed with Stone-Wales defects, by means of an empirical (first-neighbor) tight-binding method, with parame…