85 citations · 97 across the 4 of their papers we have counts for
4 papers
Physically motivated improvements of Variational Quantum Eigensolvers
Nonia Vaquero-Sabater, Abel Carreras, Román Orús +2
The Adaptive Derivative-Assembled Pseudo-Trotter Variational Quantum Eigensolver (ADAPT-VQE) has emerged as a pivotal promising approach for electronic structure challenges in quan…
Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions
Yuri Alexeev, Maximilian Amsler, Paul Baity +124
Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of e…
Emergence of π-Magnetism in Fused Aza-Triangulenes: Symmetry and Charge Transfer Effects
Jan Patrick Calupitan, Alejandro Berdonces-Layunta, Fernando Aguilar-Galindo +6
On-surface synthesis has paved the way towards the fabrication and characterization of conjugated carbon-based molecular materials that exhibit π-magnetism such as triangulenes. Az…
From Cyclic Nanorings to Single-Walled Carbon Nanotubes: Disclosing the Evolution of their Electronic Structure with the Help of Theoretical Methods
A. Pérez-Guardiola, R. Ortiz-Cano, M. E. Sandoval-Salinas +4
We systematically investigate the relationships between structural and electronic effects of finite size zigzag or armchair carbon nanotubes of various diameters and lengths, start…