3 papers
physics.chem-ph2024
Random Spin Committee Approach For Smooth Interatomic Potentials
Vlad Cărare, Volker L. Deringer, Gábor Csányi
Training interatomic potentials for spin-polarized systems continues to be a difficult task for the molecular modeling community. In this note, a proof-of-concept, random initial s…
physics.chem-ph2024
A foundation model for atomistic materials chemistry
Ilyes Batatia, Philipp Benner, Yuan Chiang +85
Atomistic simulations of matter, especially those that leverage first-principles (ab initio) electronic structure theory, provide a microscopic view of the world, underpinning much…
quant-ph2018
Expected Optimal Time for the NMR Implementation of Shor's Algorithm for Factorising 15
Vlad Cărare, Alejandro Cros Carrillo de Albornoz, John Taylor
In this paper, we briefly discuss the methodology for simulating a quantum computer which performs Shor's algorithm on a 7-qubit system to factorise 15. Using this simulation and t…