181 citations · 281 across the 11 of their papers we have counts for
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Challenges and Opportunities in Quantum Optimization
Amira Abbas, Andris Ambainis, Brandon Augustino +43
Recent advances in quantum computers are demonstrating the ability to solve problems at a scale beyond brute force classical simulation. As such, a widespread interest in quantum a…
Toward Accurate Post-Born-Oppenheimer Molecular Simulations on Quantum Computers: An Adaptive Variational Eigensolver with Nuclear-Electronic Frozen Natural Orbitals
Anton Nykänen, Aaron Miller, Walter Talarico +11
Nuclear quantum effects such as zero-point energy and hydrogen tunnelling play a central role in many biological and chemical processes. The nuclear-electronic orbital (NEO) approa…
Nonadiabatic nuclear-electron dynamics: a quantum computing approach
Arseny Kovyrshin, Mårten Skogh, Lars Tornberg +6
The combined quantum electron-nuclear dynamics is often associated with the Born-Huang expansion of the molecular wave function and the appearance of nonadiabatic effects as a pert…
A Practitioner's Guide to Quantum Algorithms for Optimisation Problems
Benjamin C. B. Symons, David Galvin, Emre Sahin +2
Quantum computing is gaining popularity across a wide range of scientific disciplines due to its potential to solve long-standing computational problems that are considered intract…
A Quantum Computing Implementation of Nuclear-Electronic Orbital (NEO) Theory: Towards an Exact pre-Born-Oppenheimer Formulation of Molecular Quantum Systems
Arseny Kovyrshin, Mårten Skogh, Anders Broo +4
Nuclear quantum phenomena beyond the Born-Oppenheimer approximation are known to play an important role in a growing number of chemical and biological processes. While there exists…