565 citations · 823 across the 23 of their papers we have counts for
26 papers
Theory and practice of Trotter product formulas for quantum chemistry
Pablo A. M. Casares, William Maxwell, Danial Motlagh +7
Trotter product formulas are a fundamental class of methods for Hamiltonian simulation, particularly attractive due to their low qubit requirements. However, they are often overloo…
Practical Estimation of Trotter Error for Hamiltonian Simulation
William Maxwell, Pablo A. M. Casares, Robert A. Lang +7
Trotter product formulas are a leading approach for Hamiltonian simulation on quantum computers, yet their practical performance has remained difficult to assess due to the challen…
Capabilities Ain't All You Need: Measuring Propensities in AI
Daniel Romero-Alvarado, Fernando Martínez-Plumed, Lorenzo Pacchiardi +11
AI evaluation has primarily focused on measuring capabilities, with formal approaches inspired from Item Response Theory (IRT) being increasingly applied. Yet propensities - the te…
Quantum Algorithms for Photoreactivity in Cancer-Targeted Photosensitizers
Yanbing Zhou, Pablo A. M. Casares, Diksha Dhawan +5
Photodynamic therapy (PDT) is a targeted cancer treatment that uses light-activated photosensitizers to generate reactive oxygen species that selectively destroy tumor cells, gener…
Quantum algorithms to detect ODMR-active defects for quantum sensing applications
Pablo A. M. Casares, Yanbing Zhou, Utkarsh Azad +6
Spin defects in two-dimensional materials are a promising platform for quantum sensing. Simulating the defect's optical response and optically detected magnetic resonance (ODMR) co…
Fast simulations of X-ray absorption spectroscopy for battery materials on a quantum computer
Stepan Fomichev, Pablo A. M. Casares, Jay Soni +5
X-ray absorption spectroscopy (XAS) is a leading technique for understanding structural changes in advanced battery materials such as lithium-excess cathodes. However, extracting c…