Quantum computing and materials science: A practical guide to applying quantum annealing to the configurational analysis of materials
Using quantum computers for computational chemistry and materials science will enable us
to tackle problems that are intractable on classical computers. In this paper, we show how …
to tackle problems that are intractable on classical computers. In this paper, we show how …
Calculating potential energy surfaces with quantum computers by measuring only the density along adiabatic transitions
J Brown - Journal of Chemical Theory and Computation, 2024 - ACS Publications
We show that chemically accurate potential energy surfaces (PESs) can be generated from
quantum computers by measuring only the density along an adiabatic transition between …
quantum computers by measuring only the density along an adiabatic transition between …
Výpočty mezimolekulárních interakcí
A Mendl - 2024 - dspace.cuni.cz
Predikce vlastností a struktury molekulárních krystalů (krystalů skládajících se z molekul
vázaných nekovalentními vazbami) z ab-inito výpočtů je náročný problém. Vazebné energie …
vázaných nekovalentními vazbami) z ab-inito výpočtů je náročný problém. Vazebné energie …