activity
20202023
most citedIs there evidence for exponential quantum advantage in quantum chemistry?

250 citations · 360 across the 9 of their papers we have counts for

collaborators

10 papers

cond-mat.stat-mech2023

Thermodynamics of one and two-qubit quantum refrigerators interacting with squeezed baths: a comparative study

Ashutosh Kumar, Sourabh Lahiri

We investigate the nonequilibrium refrigeration of one and two-qubit systems in a squeezed thermal bath. We characterize the performance of one and two-qubit refrigerators in the p…

quant-ph2023★ 3 cited

Quantum simulation of molecular response properties

Ashutosh Kumar, Ayush Asthana, Vibin Abraham +6

Accurate modeling of the response of molecular systems to an external electromagnetic field is challenging on classical computers, especially in the regime of strong electronic cor…

physics.chem-ph2022★ 7 cited

Comment on "Canonical transcorrelated theory with projected Slater-type geminals" [J. Chem. Phys. 136, 084107 (2012)]

Conner Masteran, Ashutosh Kumar, Nakul Teke +3

This Comment identifies errors in the formalism/implementation reported in Ref. 1 and discusses some aspects of that work that were not fully specified in the original publication.…

cond-mat.stat-mech2022★ 24 cited

Thermodynamics of one and two-qubit nonequilibrium heat engines running between squeezed thermal reservoirs

Ashutosh Kumar, Trilochan Bagarti, Sourabh Lahiri +1

Quantum heat engines form an active field of research due to their potential applications. There are several phenomena that are unique to the quantum regime, some of which are know…

physics.chem-ph2022★ 250 cited

Is there evidence for exponential quantum advantage in quantum chemistry?

Seunghoon Lee, Joonho Lee, Huanchen Zhai +15

The idea to use quantum mechanical devices to simulate other quantum systems is commonly ascribed to Feynman. Since the original suggestion, concrete proposals have appeared for si…

quant-ph2022★ 1 cited

Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer

Ayush Asthana, Ashutosh Kumar, Vibin Abraham +8

Near-term quantum computers are expected to facilitate material and chemical research through accurate molecular simulations. Several developments have already shown that accurate…

physics.chem-ph2022★ 4 cited

Accurate quantum simulation of molecular ground and excited states with a transcorrelated Hamiltonian

Ashutosh Kumar, Ayush Asthana, Conner Masteran +5

NISQ era devices suffer from a number of challenges like limited qubit connectivity, short coherence times and sizable gate error rates. Thus, quantum algorithms are desired that r…

physics.chem-ph2021

Computing molecular excited states on a D-Wave quantum annealer

Alexander Teplukhin, Brian K. Kendrick, Susan M. Mniszewski +6

The possibility of using quantum computers for electronic structure calculations has opened up a promising avenue for computational chemistry. Towards this direction, numerous algo…

physics.chem-ph2020

Explicitly correlated coupled cluster method for accurate treatment of open-shell molecules with hundreds of atoms

Ashutosh Kumar, Frank Neese, Edward F. Valeev

We present a near-linear scaling formulation of the explicitly-correlated coupled-cluster singles and doubles with perturbative triples method (CCSD(T)) f…

quant-ph2020★ 71 cited

Quantum simulation of electronic structure with a transcorrelated Hamiltonian: improved accuracy with a smaller footprint on the quantum computer

Mario Motta, Tanvi P. Gujarati, Julia E. Rice +6

Quantum simulations of electronic structure with a transformed Hamiltonian that includes some electron correlation effects are demonstrated. The transcorrelated Hamiltonian used in…