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quant-ph2024★ 4 cited
Towards quantum-centric simulations of extended molecules: sample-based quantum diagonalization enhanced with density matrix embedding theory
Akhil Shajan, Danil Kaliakin, Abhishek Mitra +9
Computing ground-state properties of molecules is a promising application for quantum computers operating in concert with classical high-performance computing resources. Quantum em…
quant-ph2024★ 6 cited
Accurate quantum-centric simulations of supramolecular interactions
Danil Kaliakin, Akhil Shajan, Javier Robledo Moreno +9
We present the first quantum-centric simulations of noncovalent interactions using a supramolecular approach. We simulate the potential energy surfaces (PES) of the water and metha…
quant-ph2022
A Shuttle-Efficient Qubit Mapper for Trapped-Ion Quantum Computers
Suryansh Upadhyay, Abdullah Ash Saki, Rasit Onur Topaloglu +1
Trapped-ion (TI) quantum computer is one of the forerunner quantum technologies. However, TI systems can have a limited number of qubits in a single trap. Execution of meaningful q…