Seuraa
Ayush Asthana
Ayush Asthana
Assistant Professor at University of North Dakota
Vahvistettu sähköpostiosoite verkkotunnuksessa und.edu - Kotisivu
Nimike
Viittaukset
Viittaukset
Vuosi
Two-component relativistic coupled-cluster methods using mean-field spin-orbit integrals
J Liu, Y Shen, A Asthana, L Cheng
The Journal of Chemical Physics 148 (3), 2018
612018
Exact two-component equation-of-motion coupled-cluster singles and doubles method using atomic mean-field spin-orbit integrals
A Asthana, J Liu, L Cheng
The Journal of chemical physics 150 (7), 2019
512019
Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer
A Asthana, A Kumar, V Abraham, H Grimsley, Y Zhang, L Cincio, S Tretiak, ...
Chemical Science 14 (9), 2405-2418, 2023
432023
Unitary coupled-cluster based self-consistent polarization propagator theory: A third-order formulation and pilot applications
J Liu, A Asthana, L Cheng, D Mukherjee
The Journal of chemical physics 148 (24), 2018
412018
Quantum simulation of molecular electronic states with a transcorrelated Hamiltonian: higher accuracy with fewer qubits
A Kumar, A Asthana, C Masteran, EF Valeev, Y Zhang, L Cincio, S Tretiak, ...
Journal of chemical theory and computation 18 (9), 5312-5324, 2022
39*2022
Analytic evaluation of energy first derivatives for spin–orbit coupled-cluster singles and doubles augmented with noniterative triples method: General formulation and an …
J Liu, X Zheng, A Asthana, C Zhang, L Cheng
The Journal of Chemical Physics 154 (6), 2021
222021
Quantum simulation of molecular response properties in the nisq era
A Kumar, A Asthana, V Abraham, TD Crawford, NJ Mayhall, Y Zhang, ...
Journal of Chemical Theory and Computation 19 (24), 9136-9150, 2023
212023
Leakage reduces device coherence demands for pulse-level molecular simulations
A Asthana, C Liu, OR Meitei, SE Economou, E Barnes, NJ Mayhall
Physical Review Applied 19 (6), 064071, 2023
19*2023
Mapping the Electronic Structure of the Uranium(VI) Dinitride Molecule, UN2
G Liu, C Zhang, SM Ciborowski, A Asthana, L Cheng, KH Bowen
The Journal of Physical Chemistry A 124 (32), 6486-6492, 2020
112020
Analytic gradients for relativistic exact-two-component equation-of-motion coupled-cluster singles and doubles method
C Zhang, X Zheng, J Liu, A Asthana, L Cheng
The Journal of Chemical Physics 159 (24), 2023
62023
CFOUR, Coupled-Cluster techniques for Computational Chemistry
JF Stanton, J Gauss, L Cheng, ME Harding, DA Matthews, PG Szalay
with contributions from A Asthana, AA Auer, RJ Bartlett, U Benedikt, C …, 2021
3*2021
Adapt-vqe: https://github. com/asthanaa/adapt-vqe
A Asthana, HR Grimsley, A Kumar, V Abraham, NJ Mayhall
Github repository, 2022
22022
Towards simulating molecular excited states on quantum computers
A Asthana
APS March Meeting Abstracts 2024, N49. 001, 2024
2024
Orbital Optimized ADAPT-VQE for molecular simulation on NISQ devices
A Asthana, S Economou, E Barnes, N Mayhall
APS March Meeting Abstracts 2023, K64. 011, 2023
2023
Accurate quantum chemistry calculations using NISQ era quantum computers
A Kumar, A Asthana, V Abraham, T Crawford, N Mayhall, Y Zhang, ...
APS March Meeting Abstracts 2023, F64. 006, 2023
2023
Gate-free VQE Exploiting Inter-qubit Parametric Interaction
T Zhao, C Liu, A Asthana, X Jin, K Cicak, J Aumentado, N Mayhall, ...
APS March Meeting Abstracts 2023, W64. 006, 2023
2023
Implementing pulse-based VQE (ctrl-VQE) algorithm on NISQ devices.
C Liu, A Asthana, T Zhao, R Simmonds, N Mayhall, E Barnes, ...
APS March Meeting Abstracts 2023, K64. 008, 2023
2023
Leakage reduces device coherence demands for molecular simulations with pulse-level VQE
A Asthana, S Economou, E Barnes, N Mayhall
APS March Meeting Abstracts 2022, F02. 004, 2022
2022
Development of Relativistic Electronic Structure Methods for Accurate Calculations of Molecules Containing Heavy Elements
A Asthana
Johns Hopkins University, 2021
2021
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Artikkelit 1–19