Results 111 to 120 of about 3,389,396 (288)

Giant Magnetic Coercivity Driven by Spin‐Bag Ferromagnetism in Epitaxial Sr3YCo4O10+δ Films with Engineered 2D Oxygen Vacancy Ordering

Advanced Functional Materials, EarlyView.
A giant magnetic coercivity and a vertical shift of hysteresis loops are demonstrated in Sr3YCo4O10+δ epitaxial films. The hard magnetic behavior originates from ferromagnetic spin bags stabilized within a long‐range ordered oxygen‐vacancy structure.
Yanbin Chen, Roger Guzman, Xiaomin Jia, Jialu Wu, Xing Xu, Li Sun, Jinbo Pan, Shixuan Du, Myung‐Hwan Whangbo, Wu Zhou, Jing Ma, Ce‐wen Nan, Chonglin Chen   +12 more
wiley   +1 more source

Quantum-selected configuration interaction with time-evolved state

Physical Review Research
Quantum-selected configuration interaction (QSCI) utilizes an input quantum state on a quantum device to select important bases (electron configurations in quantum chemistry) that define a subspace in which to diagonalize a target Hamiltonian, i.e ...
Mathias Mikkelsen, Yuya O. Nakagawa
doaj   +1 more source

Faster quantum chemistry simulation on fault-tolerant quantum computers

New Journal of Physics, 2012
Quantum computers can in principle simulate quantum physics exponentially faster than their classical counterparts, but some technical hurdles remain. We propose methods which substantially improve the performance of a particular form of simulation, ab ...
N Cody Jones, James D Whitfield, Peter L McMahon, Man-Hong Yung, Rodney Van Meter, Alán Aspuru-Guzik, Yoshihisa Yamamoto   +6 more
doaj   +1 more source

Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs [PDF]

, 2021
Community efforts in the computational molecular sciences (CMS) are evolving toward modular, open, and interoperable interfaces that work with existing community codes to provide more functionality and composability than could be achieved with a single ...
De Silva, Nuwan, Gordon, Mark, Windus, Theresa L., Lolinco, Annabelle T., Smith, Daniel G. A., Windus, Theresa, Lee, Jiyoung, et al.   +7 more
core  

Optical Signature of Moiré Superlattices Formed by Twisted SrTiO3 Membranes

Advanced Functional Materials, EarlyView.
We discover optical signatures from bonded interfaces in twisted SrTiO3 moiré superlattices, including low‐frequency Raman vibrational modes and strong second‐harmonic generation, consistent with strong interlayer coupling inferred from cross‐sectional electron microscopy and ab initio calculations. ABSTRACT Moiré superlattices formed at the interfaces
T. A. M. Ragib Shahriar, Fumikazu Murakami, Xing He, Konnor Koons, Xinyan Li, Bumseop Kim, Shihan Qin, Varun Harbola, Jochen Mannhart, Yimo Han, Ruijuan Xu, Shengxi Huang, Andrew M. Rappe, Hanyu Zhu   +13 more
wiley   +1 more source

Embedded Ferroelectric Nanoclusters Can Drive Polarization Reversal in a Non‐Ferroelectric Polar Film via the Proximity Effect

Advanced Functional Materials, EarlyView.
Ferroelectric nanoclusters create local internal fields in a normally non‐switchable polar film because of polarization mismatch at their interfaces. That field opposes polarization in the regions with larger polarization and reinforces polarization in the regions with smaller polarization.
Anna N. Morozovska, Eugene A. Eliseev, Sergei V. Kalinin, Long‐Qing Chen, Dean R. Evans, Venkatraman Gopalan   +5 more
wiley   +1 more source

Green organic synthesis in drug discovery: emerging roles of artificial intelligence and quantum chemical approaches

Discover Chemistry
Background Green organic synthesis has emerged as an area of interest in drug discovery research because of the environmental, regulatory, and economic challenges associated with traditional synthetic methods.
Annasaheb S. Gaikwad
doaj   +1 more source

The Case for Philosophy of Chemistry [PDF]

, 1997
The philosophy of chemistry has been sadly neglected by most contempory literature in the philosophy of science. This paper argues that this neglect has been unfor-tunate and that there is much to be learned from paying greater philosophical attention to
Scerri, Eric, McIntyre, Lee
core  

Nanoscale Spatial Tuning of Superconductivity in Cuprate Thin Films via Direct Laser Writing

Advanced Functional Materials, EarlyView.
Maskless direct laser writing enables local control of oxygen stoichiometry in epitaxial YBCO thin films under ambient conditions. Sub‐micrometer grayscale patterns with tunable optical response and superconducting transport properties are achieved.
Irene Biancardi, Valerio Levati, Jordi Alcalà, Thomas Günkel, Nicolas Lejeune, Riccardo Girelli, Alejandro V. Silhanek, Valeria Russo, Narcís Mestres, Daniela Petti, Anna Palau, Edoardo Albisetti   +11 more
wiley   +1 more source

Engineered dissipation to mitigate barren plateaus

npj Quantum Information
Variational quantum algorithms represent a powerful approach for solving optimization problems on noisy quantum computers, with a broad spectrum of potential applications ranging from chemistry to machine learning.
Antonio Sannia, Francesco Tacchino, Ivano Tavernelli, Gian Luca Giorgi, Roberta Zambrini   +4 more
doaj   +1 more source