Quantum Phase Transition in the One-Dimensional Water Chain

Autor: T. Serwatka, R. G. Melko, A. Burkov, P.-N. Roy

Publikováno v: Physical Review Letters. 130

The concept of quantum phase transitions (QPT) plays a central role in the description of condensed matter systems. In this contribution, we perform high-quality wavefunction-based simulations to demonstrate the existence of a quantum phase transitio

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::73daa1b354b485ebdd0704d787b5d869
https://doi.org/10.1103/physrevlett.130.026201

In Silico Chemical Experiments in the Age of AI: From Quantum Chemistry to Machine Learning and Back.

Autor: Aldossary A; Department of Chemistry, University of Toronto, 80 St. George Street, Toronto, ON, M5S 3H6, Canada., Campos-Gonzalez-Angulo JA; Department of Chemistry, University of Toronto, 80 St. George Street, Toronto, ON, M5S 3H6, Canada., Pablo-García S; Department of Chemistry, University of Toronto, 80 St. George Street, Toronto, ON, M5S 3H6, Canada.; Department of Computer Science, University of Toronto, 40 St. George Street, Toronto, ON, M5S 2E4, Canada., Leong SX; Department of Chemistry, University of Toronto, 80 St. George Street, Toronto, ON, M5S 3H6, Canada., Rajaonson EM; Department of Chemistry, University of Toronto, 80 St. George Street, Toronto, ON, M5S 3H6, Canada.; Vector Institute for Artificial Intelligence, 661 University Ave. Suite 710, Toronto, ON, M5G 1M1, Canada., Thiede L; Department of Computer Science, University of Toronto, 40 St. George Street, Toronto, ON, M5S 2E4, Canada.; Vector Institute for Artificial Intelligence, 661 University Ave. Suite 710, Toronto, ON, M5G 1M1, Canada., Tom G; Department of Chemistry, University of Toronto, 80 St. George Street, Toronto, ON, M5S 3H6, Canada.; Vector Institute for Artificial Intelligence, 661 University Ave. Suite 710, Toronto, ON, M5G 1M1, Canada., Wang A; Department of Chemistry, University of Toronto, 80 St. George Street, Toronto, ON, M5S 3H6, Canada., Avagliano D; Chimie ParisTech, PSL University, CNRS, Institute of Chemistry for Life and Health Sciences (iCLeHS UMR 8060), Paris, F-75005, France., Aspuru-Guzik A; Department of Chemistry, University of Toronto, 80 St. George Street, Toronto, ON, M5S 3H6, Canada.; Department of Computer Science, University of Toronto, 40 St. George Street, Toronto, ON, M5S 2E4, Canada.; Vector Institute for Artificial Intelligence, 661 University Ave. Suite 710, Toronto, ON, M5G 1M1, Canada.; Department of Materials Science & Engineering, University of Toronto, 184 College St., Toronto, ON, M5S 3E4, Canada.; Department of Chemical Engineering & Applied Chemistry, University of Toronto, 200 College St., Toronto, ON, M5S 3E5, Canada.; Lebovic Fellow, Canadian Institute for Advanced Research (CIFAR), 66118 University Ave., Toronto, M5G 1M1, Canada.; Acceleration Consortium, 80 St George St, Toronto, M5S 3H6, Canada.

Publikováno v: Advanced materials (Deerfield Beach, Fla.) [Adv Mater] 2024 Jul; Vol. 36 (30), pp. e2402369. Date of Electronic Publication: 2024 May 25.

KineticNet: Deep learning a transferable kinetic energy functional for orbital-free density functional theory.

Autor: Remme, R., Kaczun, T., Scheurer, M., Dreuw, A., Hamprecht, F. A.

Publikováno v: Journal of Chemical Physics; 10/14/2023, Vol. 159 Issue 14, p1-13, 13p

Quantum computing to solve scenario-based stochastic time-dependent shortest path routing.

Autor: Dixit, Vinayak V., Niu, Chence, Rey, David, Waller, S. Travis, Levin, Michael W.

Publikováno v: Transportation Letters; Oct2024, Vol. 16 Issue 8, p793-803, 11p

Magnetism of NaYbS2: From finite temperatures to ground state.

Autor: Zhuo, Weizhen, Zhang, Zheng, Xie, Mingtai, Zhang, Anmin, Ji, Jianting, Jin, Feng, Zhang, Qingming

Publikováno v: SCIENCE CHINA Physics, Mechanics & Astronomy; Oct2024, Vol. 67 Issue 10, p1-13, 13p