123 citations · 1.1k across the 39 of their papers we have counts for
39 papers
Ab initio description of bcc iron with correlation matrix renormalization theory
Jun Liu, Yongxin Yao, Vladimir Antropov +2
We applied the ab initio spin-polarized Correlation Matrix Renormalization Theory (CMRT) to the ferromagnetic state of the bulk BCC iron. We showed that it was capable of reproduci…
Chirality manipulation of ultrafast phase switchings in a correlated CDW-Weyl semimetal
Bing Cheng, Di Cheng, Tao Jiang +8
A recently emerging concept for quantum phase discovery is the controlled gapping of linear band crossings in topological semimetals. For example, achieving topological superconduc…
Ab-initio Simulations of Coherent Phonon-Induced Pumping of Carriers in Zirconium Pentatelluride
Tao Jiang, Peter P. Orth, Liang Luo +7
Laser-driven coherent phonons can act as modulated strain fields and modify the adiabatic ground state topology of quantum materials. Here we use time-dependent first-principles an…
Architectures for Multinode Superconducting Quantum Computers
James Ang, Gabriella Carini, Yanzhu Chen +30
Many proposals to scale quantum technology rely on modular or distributed designs where individual quantum processors, called nodes, are linked together to form one large multinode…
Benchmarks and results of the two-band Hubbard model from the Gutzwiller conjugate gradient minimization theory
Zhuo Ye, Feng Zhang, Yong-Xin Yao +2
Ground-state properties, such as energies and double occupancies, of a one-dimensional two-band Hubbard model are calculated using a first principles Gutzwiller conjugate gradient…
Error-Mitigated Simulation of Quantum Many-Body Scars on Quantum Computers with Pulse-Level Control
I-Chi Chen, Benjamin Burdick, Yongxin Yao +2
Quantum many-body scars are an intriguing dynamical regime in which quantum systems exhibit coherent dynamics and long-range correlations when prepared in certain initial states. W…
Comparative study of adaptive variational quantum eigensolvers for multi-orbital impurity models
Anirban Mukherjee, Noah F. Berthusen, João C. Getelina +2
Hybrid quantum-classical embedding methods for correlated materials simulations provide a path towards potential quantum advantage. However, the required quantum resources arising…
Error mitigation in variational quantum eigensolvers using tailored probabilistic machine learning
Tao Jiang, John Rogers, Marius S. Frank +3
Quantum computing technology has the potential to revolutionize the simulation of materials and molecules in the near future. A primary challenge in achieving near-term quantum adv…
Electronic Properties of Single-Layer CoO/Au(111)
Ann Julie U. Holt, Sahar Pakdel, Jonathan Rodríguez-Fernández +11
We report direct measurements via angle-resolved photoemission spectroscopy (ARPES) of the electronic dispersion of single-layer CoO. The Fermi contour consists of a large hole…
Adaptive variational quantum eigensolvers for highly excited states
Feng Zhang, Niladri Gomes, Yongxin Yao +2
Highly excited states of quantum many-body systems are central objects in the study of quantum dynamics and thermalization that challenge classical computational methods due to the…
Adaptive Variational Quantum Imaginary Time Evolution Approach for Ground State Preparation
Niladri Gomes, Anirban Mukherjee, Feng Zhang +5
An adaptive variational quantum imaginary time evolution (AVQITE) approach is introduced that yields efficient representations of ground states for interacting Hamiltonians on near…
Adaptive Variational Quantum Dynamics Simulations
Yong-Xin Yao, Niladri Gomes, Feng Zhang +4
We propose a general-purpose, self-adaptive approach to construct variational wavefunction ansätze for highly accurate quantum dynamics simulations based on McLachlan's variational…
Bypassing the computational bottleneck of quantum-embedding theories for strong electron correlations with machine learning
John Rogers, Tsung-Han Lee, Sahar Pakdel +5
A cardinal obstacle to performing quantum-mechanical simulations of strongly-correlated matter is that, with the theoretical tools presently available, sufficiently-accurate comput…
Shallow-circuit variational quantum eigensolver based on symmetry-inspired Hilbert space partitioning for quantum chemical calculations
Feng Zhang, Niladri Gomes, Noah F. Berthusen +4
Development of resource-friendly quantum algorithms remains highly desirable for noisy intermediate-scale quantum computing. Based on the variational quantum eigensolver (VQE) with…
Efficient step-merged quantum imaginary time evolution algorithm for quantum chemistry
Niladri Gomes, Feng Zhang, Noah F. Berthusen +4
We develop a resource efficient step-merged quantum imaginary time evolution approach (smQITE) to solve for the ground state of a Hamiltonian on quantum computers. This heuristic m…
Spatial decomposition of magnetic anisotropy in magnets: application for doped Fe16N2
Yang Sun, Yong-Xin Yao, Manh Cuong Nguyen +3
We propose a scheme of decomposition of the total relativistic energy in solids to intra- and interatomic contributions. The method is based on a variation of the speed of light fr…
Ground state properties of one-dimensional and two-dimensional Hubbard model from Gutzwiller conjugate gradient minimization theory
Zhuo Ye, Feng Zhang, Yong-Xin Yao +2
We introduce Gutzwiller conjugate gradient minimization (GCGM) theory, an ab initio quantum many-body theory for computing the ground-state properties of infinite systems. GCGM use…
Gutzwiller Hybrid Quantum-Classical Computing Approach for Correlated Materials
Yongxin Yao, Feng Zhang, Cai-Zhuang Wang +2
Rapid progress in noisy intermediate-scale quantum (NISQ) computing technology has led to the development of novel resource-efficient hybrid quantum-classical algorithms, such as t…
Coherent Band-Edge Oscillations and Dynamic LO Phonon Mode Splitting as Evidence for Polaronic Coupling in Perovskites
Z. Liu, C. Vaswani, L. Luo +12
The coherence of collective modes, such as phonons, and their modulation of the electronic states are long sought in complex systems, which is a cross-cutting issue in photovoltaic…
Rotationally invariant slave-boson and density matrix embedding theory: A unified framework and a comparative study on the 1D and 2D Hubbard Model
Tsung-Han Lee, Thomas Ayral, Yong-Xin Yao +2
We present detailed benchmark ground-state calculations of the one- and two-dimensional Hubbard model utilizing the cluster extensions of the rotationally invariant slave-boson (RI…
Uncovering the Origin of Divergence in the CsM(CrO) (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis
Shane S. Galley, Alexandra A. Arico, Tsung-Han Lee +12
A series of f-block chromates, CsM(CrO) (M = La, Pr, Nd, Sm, Eu; Am), were prepared revealing notable differences between the AmIII derivatives and their lanthanide analogs…
Critical role of electronic correlations in determining crystal structure of transition metal compounds
Nicola Lanatà, Tsung-Han Lee, Yong-Xin Yao +2
The choice that a solid system "makes" when adopting a crystal structure (stable or metastable) is ultimately governed by the interactions between electrons forming chemical bonds.…
Magnetocrystalline anisotropy in YCo5 and LaCo5: A choice of correlation parameters and the relativistic effects
Manh Cuong Nguyen, Yongxin Yao, Cai-Zhuang Wang +2
The dependence of the magnetocrystalline anisotropy energy (MAE) of MCo5 (M = Y, La) on the Coulomb correlations and strength of spin orbit (SO) interaction within the GGA + U sche…
Emergent Bloch Excitations in Mott Matter
Nicola Lanatà, Tsung-Han Lee, Yongxin Yao +1
We develop a unified theoretical picture for excitations in Mott systems, portraying both the heavy quasiparticle excitations and the Hubbard bands as features of an emergent Fermi…