159 citations · 1.6k across the 50 of their papers we have counts for
53 papers
A Practical Introduction to VQE: Methods, Challenges, and Applications in Physics and Chemistry
Jannis Ehrlich, Felix Rupprecht, Konstantin Lamp +6
The Variational Quantum Eigensolver (VQE) has become a central hybrid quantum-classical method for addressing electronic structure and materials science problems on near-term quant…
Molecular Dynamics with Nuclear Effects on Quantum Computers
Lukas Haßfurth, Juliane Heitkämper, Elias Walter +1
Nuclear quantum effects are critical for describing proton transfer and hydrogen bonding, but their incorporation into quantum chemistry calculations is often computationally prohi…
Dense and porous phase transition study of SEI formation using phase-field method
Joonyeob Jeon, Lukas Kobbing, Tejs Vegge +3
The solid electrolyte interphase (SEI) is essential for the long-term stability of batteries because it influences the reactions between the electrode and electrolyte. Despite prev…
Simulation of a Battery Cell on Quantum Computers: Reactions & Transport
Albert J. Pool, Michael Schelling, Birger Horstmann
Simulations of electrochemical materials and systems accelerate technological progress, but are still limited by computational power. In particular, quantum computing offers prospe…
Effects of High-Temperature Preconditioning on Li Plating During Low-Temperature Cycling of the COTS LG Chem HG2 Cell
Lukas Lehnert, Keith B. Chin, Frederick C. Krause +7
Commercial off-the-shelf~(COTS) Li ion cells offer an attractive and rechargeable power source for spacecraft applications. However, since these cells are typically designed for ch…
Optimizing Subspace Expansion in Quantum Chemistry through Operator Selection and Reference State Choice
Konstantin Lamp, Alejandro D. Somoza, Elias Walter +4
The Virtual Quantum Subspace Expansion (VQSE) extends the Variational Quantum Eigensolver (VQE) by leveraging additional measurements on the reference state to capture the influenc…