Zobrazeno 1 - 10
of 4 475
pro vyhledávání: '"Whaley P"'
We have developed a new time propagation method, time-dependent adaptive sampling configuration interaction (TD-ASCI), to describe the dynamics of a strongly correlated system. We employ the short iterative Lanczos (SIL) method as the time-integrator
Externí odkaz:
http://arxiv.org/abs/2411.07615
Simulation of physical systems is one of the most promising use cases of future digital quantum computers. In this work we systematically analyze the quantum circuit complexities of block encoding the discretized elliptic operators that arise extensi
Externí odkaz:
http://arxiv.org/abs/2407.18347
The quantum simulation of real molecules and materials is one of the most highly anticipated applications of quantum computing. Algorithms for simulating electronic structure using a first-quantized plane wave representation are especially promising
Externí odkaz:
http://arxiv.org/abs/2407.00249
Autor:
Vora, Neel R., Xu, Yilun, Hashim, Akel, Fruitwala, Neelay, Nguyen, Ho Nam, Liao, Haoran, Balewski, Jan, Rajagopala, Abhi, Nowrouzi, Kasra, Ji, Qing, Whaley, K. Birgitta, Siddiqi, Irfan, Nguyen, Phuc, Huang, Gang
Similar to reading the transistor state in classical computers, identifying the quantum bit (qubit) state is a fundamental operation to translate quantum information. However, identifying quantum state has been the slowest and most susceptible to err
Externí odkaz:
http://arxiv.org/abs/2406.18807
We generalize the projection-based quantum measurement-driven $k$-SAT algorithm of Benjamin, Zhao, and Fitzsimons (BZF, arxiv:1711.02687) to arbitrary strength quantum measurements, including the limit of continuous monitoring. In doing so, we clarif
Externí odkaz:
http://arxiv.org/abs/2406.13611
Autor:
Reeves, Cian C., Harsha, Gaurav, Shee, Avijit, Zhu, Yuanran, Yang, Chao, Whaley, K Birgitta, Zgid, Dominika, Vlcek, Vojtech
Theoretical descriptions of non equilibrium dynamics of quantum many-body systems essentially employ either (i) explicit treatments, relying on truncation of the expansion of the many-body wave function, (ii) compressed representations of the many-bo
Externí odkaz:
http://arxiv.org/abs/2405.08814
Autor:
Leimkuhler, Oskar, Whaley, K. Birgitta
Electronic ground states are of central importance in chemical simulations, but have remained beyond the reach of efficient classical algorithms except in cases of weak electron correlation or one-dimensional spatial geometry. We introduce a hybrid q
Externí odkaz:
http://arxiv.org/abs/2404.10223
Publikováno v:
J. Chem. Phys. 161, 164107 (2024)
We develop a static quantum embedding scheme that utilizes different levels of approximations to coupled cluster (CC) theory for an active fragment region and its environment. To reduce the computational cost, we solve the local fragment problem usin
Externí odkaz:
http://arxiv.org/abs/2404.09078
We develop and analyze a fault-tolerant quantum algorithm for computing $n$-th order response properties necessary for analysis of non-linear spectroscopies of molecular and condensed phase systems. We use a semi-classical description in which the el
Externí odkaz:
http://arxiv.org/abs/2404.01454
We investigate the pressure-temperature ($p$-$T$) phase diagram of elemental lithium (Li) up to multiterapascal (TPa) pressures using ab-initio random structure search (AIRSS) and density functional theory (DFT). At zero temperature, beyond the high-
Externí odkaz:
http://arxiv.org/abs/2403.13137