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Procedia Chemistry

Discussions on Session 2B:Quantum effects in chemistry

Jasper Knoester, Frank De Proft

Published Jan 1, 2011• 0 citations
Publisher
DOI
10.1016/j.proche.2011.08.018

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Using Monte Carlo simulations, we have studied the critical behaviours and phase diagrams of the spin-1/2 and spin-1 Ashkin Teller model ferromagnetic thin films. In the first part: The effect of the interaction with the exchange coupling 𝐽4 is studied. The phase diagrams present different ratios of the surface exchange interaction at the special point, in which all the films thickness have the same critical temperature. First and second order transitions appears in the system. Moreover, at the special point descriptions, we found another partially ordered phase for certain values of the parameter’s interaction. Finally, the critical exponents of the surface magnetization 𝛽1𝑚 are estimated. In the second part, the effects of the crystal field 𝐷 𝐽 ⁄ 2𝑏 and four-spins coupling (𝐽4𝑠 𝐽 ⁄ 2𝑏, 𝐽4𝑏 𝐽 ⁄ 2𝑏) has been studied in details. The phase diagrams in the (𝑘𝐵𝑇𝑐 𝐽 ⁄ 2𝑏 ,𝐽2𝑠 𝐽 ⁄ 2𝑏) plane exhibits the special point, for different values of 𝐷 𝐽 ⁄ 2𝑏 and (𝐽4𝑠 𝐽 ⁄ 2𝑏, 𝐽4𝑏 𝐽 ⁄ 2𝑏). Then, we found rich phase diagrams with firstand second-order phase transitions that meet at tricritical points, that are depended on the film thickness N. Finally, this model presents a new partially ordered phase < 𝜎𝑆 >, between the paramagnetic phase and the Baxter phase, which are separated by a second-order phase transition, for positive values of 𝐷 𝐽 ⁄ 2𝑏 and for each film thickness N.

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A detailed understanding of the noise processes and errors in near-term quantum computers is essential for accurate calibration of gates, and for achieving optimal performance when executing near-term applications such as quantum chemistry, optimization, or machine learning problems. This paper introduces several sources of noise in superconducting qubit based quantum computers such as those deployed by IBM, describes some of the main techniques for characterizing the resulting errors, and for mitigating the effects of certain errors without access to quantum error correction. We demonstrate experimental application of these techniques on an IBM Quantum system using the open source Qiskit software library.

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Using Monte Carlo simulations, we have studied the critical behaviours and phase diagrams of the spin-1/2 and spin-1 Ashkin Teller model ferromagnetic thin films. In the first part: The effect of the interaction with the exchange coupling 𝐽4 is studied. The phase diagrams present different ratios of the surface exchange interaction at the special point, in which all the films thickness have the same critical temperature. First and second order transitions appears in the system. Moreover, at the special point descriptions, we found another partially ordered phase for certain values of the parameter’s interaction. Finally, the critical exponents of the surface magnetization 𝛽1𝑚 are estimated. In the second part, the effects of the crystal field 𝐷 𝐽 ⁄ 2𝑏 and four-spins coupling (𝐽4𝑠 𝐽 ⁄ 2𝑏, 𝐽4𝑏 𝐽 ⁄ 2𝑏) has been studied in details. The phase diagrams in the (𝑘𝐵𝑇𝑐 𝐽 ⁄ 2𝑏 ,𝐽2𝑠 𝐽 ⁄ 2𝑏) plane exhibits the special point, for different values of 𝐷 𝐽 ⁄ 2𝑏 and (𝐽4𝑠 𝐽 ⁄ 2𝑏, 𝐽4𝑏 𝐽 ⁄ 2𝑏). Then, we found rich phase diagrams with firstand second-order phase transitions that meet at tricritical points, that are depended on the film thickness N. Finally, this model presents a new partially ordered phase < 𝜎𝑆 >, between the paramagnetic phase and the Baxter phase, which are separated by a second-order phase transition, for positive values of 𝐷 𝐽 ⁄ 2𝑏 and for each film thickness N.
A detailed understanding of the noise processes and errors in near-term quantum computers is essential for accurate calibration of gates, and for achieving optimal performance when executing near-term applications such as quantum chemistry, optimization, or machine learning problems. This paper introduces several sources of noise in superconducting qubit based quantum computers such as those deployed by IBM, describes some of the main techniques for characterizing the resulting errors, and for mitigating the effects of certain errors without access to quantum error correction. We demonstrate experimental application of these techniques on an IBM Quantum system using the open source Qiskit software library.