A static quantum embedding scheme based on coupled cluster theory

Kavli Affiliate: Birgitta Whaley | First 5 Authors: Avijit Shee, Fabian M. Faulstich, Birgitta Whaley, Lin Lin, Martin Head-Gordon | Summary: We develop a static quantum embedding scheme, utilizing projection equations to solve coupled cluster (CC) amplitudes. To reduce the computational cost (for example, of a large basis set calculation), we solve the local fragment […]


Continue.. A static quantum embedding scheme based on coupled cluster theory

Can LLMs substitute SQL? Comparing Resource Utilization of Querying LLMs versus Traditional Relational Databases

Kavli Affiliate: Xiang Zhang | First 5 Authors: Xiang Zhang, Khatoon Khedri, Reza Rawassizadeh, , | Summary: Large Language Models (LLMs) can automate or substitute different types of tasks in the software engineering process. This study evaluates the resource utilization and accuracy of LLM in interpreting and executing natural language queries against traditional SQL within […]


Continue.. Can LLMs substitute SQL? Comparing Resource Utilization of Querying LLMs versus Traditional Relational Databases

Quantum Digital Simulation of Cavity Quantum Electrodynamics: Insights from Superconducting and Trapped Ion Quantum Testbeds

Kavli Affiliate: Irfan Siddiqi | First 5 Authors: Alex H. Rubin, Brian Marinelli, Victoria A. Norman, Zainab Rizvi, Ashlyn D. Burch | Summary: A leading application of quantum computers is the efficient simulation of large unitary quantum systems. Extending this advantage to the study of open Cavity Quantum Electrodynamics (CQED) systems could enable the use […]


Continue.. Quantum Digital Simulation of Cavity Quantum Electrodynamics: Insights from Superconducting and Trapped Ion Quantum Testbeds

Revealing kinetically tuned atomic pathways for interfacial strain relaxation

Kavli Affiliate: David T. Limmer | First 5 Authors: Sophia B. Betzler, Daewon Lee, Sam Oaks-Leaf, Colin Ophus, Lin-Wang Wang | Summary: Strain at interfaces may profoundly impact the microstructure and properties of materials; thus, it is a major consideration when designing and engineering materials. Dislocation formation is a commonly known mechanism to release mismatch […]


Continue.. Revealing kinetically tuned atomic pathways for interfacial strain relaxation

An efficient quantum algorithm for generation of ab initio n-th order susceptibilities for non-linear spectroscopies

Kavli Affiliate: Birgitta Whaley | First 5 Authors: Tyler Kharazi, Torin F. Stetina, Liwen Ko, Guang Hao Low, K. Birgitta Whaley | Summary: 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 […]


Continue.. An efficient quantum algorithm for generation of ab initio n-th order susceptibilities for non-linear spectroscopies

Convergence Acceleration of Favre-Averaged Non-Linear Harmonic Method

Kavli Affiliate: Feng Wang | First 5 Authors: Feng Wang, Kurt Webber, David Radford, Luca di Mare, Marcus Meyer | Summary: This paper develops a numerical procedure to accelerate the convergence of the Favre-averaged Non-Linear Harmonic (FNLH) method. The scheme provides a unified mathematical framework for solving the sparse linear systems formed by the mean […]


Continue.. Convergence Acceleration of Favre-Averaged Non-Linear Harmonic Method

A new approach for deducing rms proton radii from charge-changing reactions of neutron-rich nuclei and the reaction-target dependence

Kavli Affiliate: Feng Wang | First 5 Authors: J. -C. Zhang, B. -H. Sun, I. Tanihata, R. Kanungo, C. Scheidenberger | Summary: We report the charge-changing cross sections ($sigma_{text{cc}}$) of 24 $p$-shell nuclides on both hydrogen and carbon at about 900$A$ MeV, of which $^{8,9}$Li, $^{10textendash12}$Be, $^{10,14,15}$B, $^{14,15,17textendash22}$N and $^{16}$O on hydrogen and $^{8,9}$Li on […]


Continue.. A new approach for deducing rms proton radii from charge-changing reactions of neutron-rich nuclei and the reaction-target dependence

Coherent control from quantum committment probabilities

Kavli Affiliate: David T. Limmer | First 5 Authors: Michelle C. Anderson, Amro Dodin, Thomas P. Fay, David T. Limmer, | Summary: We introduce a general definition of a quantum committor in order to clarify reaction mechanisms and facilitate control in processes where coherent effects are important. With a quantum committor, we generalize the notion […]


Continue.. Coherent control from quantum committment probabilities

Evaluation of transition rates from nonequilibrium instantons

Kavli Affiliate: David T. Limmer | First 5 Authors: Eric R. Heller, David T. Limmer, , , | Summary: Equilibrium rate theories play a crucial role in understanding rare, reactive events. However, they are inapplicable to a range of irreversible processes in systems driven far from thermodynamic equilibrium like active and biological matter. Here, we […]


Continue.. Evaluation of transition rates from nonequilibrium instantons

Efficient Generation of Multi-partite Entanglement between Non-local Superconducting Qubits using Classical Feedback

Kavli Affiliate: Irfan Siddiqi | First 5 Authors: Akel Hashim, Ming Yuan, Pranav Gokhale, Larry Chen, Christian Juenger | Summary: Quantum entanglement is one of the primary features which distinguishes quantum computers from classical computers. In gate-based quantum computing, the creation of entangled states or the distribution of entanglement across a quantum processor often requires […]


Continue.. Efficient Generation of Multi-partite Entanglement between Non-local Superconducting Qubits using Classical Feedback