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Ieva Liepuoniute
Ieva Liepuoniute
IBM Research (past: UCLA, NYU)
Verified email at ibm.com - Homepage
Title
Cited by
Cited by
Year
Correlated motion and mechanical gearing in amphidynamic crystalline molecular machines
I Liepuoniute, MJ Jellen, MA Garcia-Garibay
Chemical Science 11, 12994-13007, 2020
492020
Taming radical pairs in the crystalline solid state: discovery and total synthesis of psychotriadine
JJ Dotson, I Liepuoniute, JL Bachman, VM Hipwell, SI Khan, KN Houk, ...
Journal of the American Chemical Society 143 (10), 4043-4054, 2021
272021
Dipolar order in an amphidynamic crystalline metal–organic framework through reorienting linkers
YS Su, ES Lamb, I Liepuoniute, A Chronister, AL Stanton, P Guzman, ...
Nature Chemistry 13 (3), 278-283, 2021
272021
Quantum chemistry simulation of ground-and excited-state properties of the sulfonium cation on a superconducting quantum processor
M Motta, GO Jones, JE Rice, TP Gujarati, R Sakuma, I Liepuoniute, ...
Chemical Science 14 (11), 2915-2927, 2023
262023
Direct Observation of Photoinduced trans–cis Isomerization on Azobenzene Single Crystal
CY Lai, G Raj, I Liepuoniute, M Chiesa, P Naumov
Crystal Growth & Design 17 (6), 3306-3312, 2017
222017
Reversible multicolor photochromism of dihydroazulene crystals
I Liepuoniute, P Commins, DP Karothu, S Schramm, H Hara, P Naumov
Chemistry–A European Journal 25 (1), 373-378, 2019
212019
Enhanced Rotation by Ground State Destabilization in Amphidynamic Crystals of a Dipolar 2,3-Difluorophenylene Rotator as Established by Solid State 2H NMR …
I Liepuoniute, CM Huynh, S Perez-Estrada, Y Wang, S Khan, KN Houk, ...
The Journal of Physical Chemistry C 124 (28), 15391-15398, 2020
202020
Enhanced gearing fidelity achieved through macrocyclization of a solvated molecular spur gear
MJ Jellen, I Liepuoniute, M Jin, CG Jones, S Yang, X Jiang, HM Nelson, ...
Journal of the American Chemical Society 143 (20), 7740-7747, 2021
142021
Hamiltonian simulation of quantum beats in radical pairs undergoing thermal relaxation on near-term quantum computers
M Tolunay, I Liepuoniute, M Vyushkova, BA Jones
Physical Chemistry Chemical Physics 25 (22), 15115-15134, 2023
52023
Computational Investigation into Ligand Effects on Correlated Geared Dynamics in Dirhodium Supramolecular Gears–Insights Be-yond the NMR Experimental Window
I Liepuoniute, JN Sanders, MA Garcia-Garibay, KN Houk
The Journal of Organic Chemistry 85 (13), 8695–8701, 2020
52020
Understanding the Hardness of Doped WB4.2
KD Shumilov, Z Mehmedovic, H Yin, P Poths, S Nuryyeva, I Liepuoniute, ...
The Journal of Physical Chemistry C 125 (17), 9486-9496, 2021
42021
Simulation of a diels-alder reaction on a quantum computer
I Liepuoniute, M Motta, T Pellegrini, JE Rice, TP Gujarati, S Gil, GO Jones
arXiv preprint arXiv:2403.08107, 2024
32024
Subspace methods for electronic structure simulations on quantum computers
M Motta, W Kirby, I Liepuoniute, KJ Sung, J Cohn, A Mezzacapo, ...
Electronic Structure 6 (1), 013001, 2024
12024
Computational Study of Ground-State Destabilization Effects and Dipole–Dipole Interaction Energies in Amphidynamic Crystals
I Liepuoniute, JR Shan, KN Houk, MA Garcia-Garibay
The Journal of Organic Chemistry 89 (1), 9-15, 2023
2023
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Articles 1–14