15 citations · 16 across the 12 of their papers we have counts for
5 papers · 1 filter
Scientific applications of quantum computing: challenges and opportunities
Bruno Camino, C. Richard A. Catlow, John Buckeridge +13
The predictive simulation of molecules and materials has had a broad and significant impact. It nevertheless remains constrained by the cost of accurately treating electronic corre…
Sample-based quantum diagonalization approach for open-shell transition-metal complexes in gas and implicit-solvent
David David, Vedangi Pathak, Marek Kowalik +5
Open-shell transition-metal complexes pose a stringent challenge for correlated electronic-structure methods because near-degenerate metal orbitals give rise to competing…
The Future of Computing for Materials Science Challenges
Phalgun Lolur, Richard P. Padbury, George H. Booth +10
Materials discovery increasingly relies on the coordinated use of theory, computation, experiment, data-driven methods, and emerging quantum technologies, yet the full potential of…
Digital Quantum Simulation of the quantum -FPUT Lattice: Formulation and Resource Estimation
Kiratholly Nandakumar Madhav Sharma, Juan Manuel Aguiar Hualde, Julian van Velzen +1
Heat conduction in low-dimensional systems exhibits strong deviations from Fourier behavior due to anharmonicity and long-lived vibrational correlations, challenging conventional c…
Nonlinear Coherent Transport in 2D Thermal Metamaterials: From Solitons and Topological Defects to Quantum Computing
R. A. C. Correa, K. N. M. Sharma, P. Lolur +1
Understanding heat transport in low-dimensional and nano-architectured materials remains a central challenge in nonequilibrium statistical physics due to persistent deviations from…