activity
20182021
most citedEfficient step-merged quantum imaginary time evolution algorithm for quantum chemistry

80 citations · 89 across the 3 of their papers we have counts for

collaborators

15 papers

cond-mat.mtrl-sci2021

Iron-rich Fe-O compounds with closest-packed layers at core pressures

Jin Liu, Yang Sun, Chaojia Lv +7

Oxygen solubility in solid iron is extremely low, even at high pressures and temperatures. Thus far, no Fe-O compounds between Fe and FeO endmembers have been reported experimental…

physics.chem-ph2021

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…

quant-ph2020

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…

quant-ph2020

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…

cond-mat.soft2020

Phase Diagram and Structure Map of Binary Nanoparticle Superlattices from a Lennard-Jones Model

Shang Ren, Yang Sun, Feng Zhang +3

A first principle prediction of the binary nanoparticle phase diagram assembled by solvent evaporation has eluded theoretical approaches. In this paper, we show that a binary syste…

physics.comp-ph202080 cited

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…