Quantum algorithms for quantum chemistry and quantum materials science

B Bauer, S Bravyi, M Motta, GKL Chan - Chemical Reviews, 2020 - ACS Publications
As we begin to reach the limits of classical computing, quantum computing has emerged as
a technology that has captured the imagination of the scientific world. While for many years …

Using nature's blueprint to expand catalysis with Earth-abundant metals

RM Bullock, JG Chen, L Gagliardi, PJ Chirik, OK Farha… - Science, 2020 - science.org
BACKGROUND Catalysis has had a transformative impact on society, playing a crucial role
in the production of modern materials, medicines, fuels, and chemicals. Precious metals …

Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry

S Lee, J Lee, H Zhai, Y Tong, AM Dalzell… - Nature …, 2023 - nature.com
Due to intense interest in the potential applications of quantum computing, it is critical to
understand the basis for potential exponential quantum advantage in quantum chemistry …

Quantum-centric supercomputing for materials science: A perspective on challenges and future directions

Y Alexeev, M Amsler, MA Barroca, S Bassini… - Future Generation …, 2024 - Elsevier
Computational models are an essential tool for the design, characterization, and discovery
of novel materials. Computationally hard tasks in materials science stretch the limits of …

Quantum computational chemistry

S McArdle, S Endo, A Aspuru-Guzik, SC Benjamin… - Reviews of Modern …, 2020 - APS
One of the most promising suggested applications of quantum computing is solving
classically intractable chemistry problems. This may help to answer unresolved questions …

Multireference approaches for excited states of molecules

H Lischka, D Nachtigallova, AJA Aquino… - Chemical …, 2018 - ACS Publications
Understanding the properties of electronically excited states is a challenging task that
becomes increasingly important for numerous applications in chemistry, molecular physics …

Emerging quantum computing algorithms for quantum chemistry

M Motta, JE Rice - Wiley Interdisciplinary Reviews …, 2022 - Wiley Online Library
Digital quantum computers provide a computational framework for solving the Schrödinger
equation for a variety of many‐particle systems. Quantum computing algorithms for the …

The chromium dimer: closing a chapter of quantum chemistry

HR Larsson, H Zhai, CJ Umrigar… - Journal of the American …, 2022 - ACS Publications
The complex electronic structure and unusual potential energy curve of the chromium dimer
have fascinated scientists for decades, with agreement between theory and experiment so …

The density matrix renormalization group in chemistry and molecular physics: Recent developments and new challenges

A Baiardi, M Reiher - The Journal of Chemical Physics, 2020 - pubs.aip.org
In the past two decades, the density matrix renormalization group (DMRG) has emerged as
an innovative new method in quantum chemistry relying on a theoretical framework very …

[LIBRO][B] The slave's cause: A history of abolition

M Sinha - 2016 - books.google.com
“Traces the history of abolition from the 1600s to the 1860s... a valuable addition to our
understanding of the role of race and racism in America.”—Florida Courier Received …