Results 81 to 90 of about 137,993 (255)

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

Quantifying Subsurface Weak in‐Plane Magnetization of Mixed Phase BiFeO3 by Scanning Nitrogen Vacancy Magnetometry

Advanced Functional Materials, EarlyView.
We use scanning nitrogen vacancy magnetometry to directly image the weak in‐plane magnetic moments in mixed phase BiFeO3 at the nanoscale and quantify the local magnetic moments to be 18.8±2.0 μB/nm2 in the rhombohedral‐like phase and 1.5±0.6 μB/nm2 in the well‐known non‐magnetic tetragonal‐like phase.
Lei Wang, Zhewen Xu, Yuwen Xu, Björn Josteinsson, Simon Josephy, Dawei Zhang, Yunlong Sun, Heung‐Sik Park, Jihun Kim, Kanghyun Chu, Kyung Song, Danyang Wang, Chan‐Ho Yang, Andrea Morales, Jan Seidel   +14 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

Glissile Interphase Boundaries Enable Collective Phase Switching in Epitaxial Polar Oxides

Advanced Functional Materials, EarlyView.
A triple point is identified in the phase diagram of low‐symmetry epitaxial BiFeO3 thin film along with an extended regime of phase competition associated with a flattened energy landscape. The electromechanical response is shown to be governed by correlated interphase‐boundary motion, including scale‐free avalanche dynamics characteristic of systems ...
Mohammad Moein Seyfouri, Oliver Paull, Ralph Bulanadi, Yasuhiro Sakamoto, Shintaro Yasui, Mikayla Lord, Mahak Chhabra, David Walker, Patrycja Paruch, Shery Chang, Nagarajan Valanoor, Daniel Sando   +11 more
wiley   +1 more source

Chiral Phase Change Nanomaterials

Advanced Functional Materials, EarlyView.
This work demonstrates reversible, non‐volatile phase transitions in chiral Ge2${\rm Ge}_2$Sb2${\rm Sb}_2$Te5${\rm Te}_5$ (GST) nanohelices for high‐speed optical modulation of chirality and dynamic control of the state of polarization (SOP). The chiral nanostructures are fabricated using a highly directional, wafer‐scale physical vapor deposition ...
Joshua A. Burrow, Md Shah Alam, Riad Yahiaoui, Evan M. Smith, Ryan Laing, Jules Gardener, Thomas A. Searles, Piyush J. Shah, Shivashankar Vangala, Joshua R. Hendrickson, Andrew M. Sarangan, Imad Agha   +11 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

Extremely Long Electron Lifetime in Spontaneously Passivated Polycrystalline Perovskite Layers via Illumination‐Assisted Trap Filling

Advanced Functional Materials, EarlyView.
ABSTRACT Perovskite solar cells (PSCs) are promising next‐generation photovoltaics. The high performance of PSCs is attributed to the long carrier lifetimes of perovskite photoabsorbers. However, the carrier lifetimes of polycrystalline perovskite layers, which serve as the photoabsorbers in practical PSCs, have remained limited to several tens of ...
Naoyuki Nishimura, Ryuzi Katoh, Takurou N. Murakami   +2 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

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

Room‐Temperature Synthesis of Strongly Confined Lead Halide Perovskite Quantum Dots

Advanced Functional Materials, EarlyView.
CsPbX3${\rm CsPbX}_3$ lead halide perovskite quantum dots (QDs) are synthesized in a room‐temperature, five‐minute synthesis, yielding size‐controlled QDs with bright, tunable emission governed by reaction conditions and halide composition. A strongly binding ligand, OD‐PEA, ensures months‐long stability under ambient conditions and facilitates their ...
Anna Abfalterer, Yuzhen J. Zhou, Roshini Jayabalan, Julian Holzinger, Lukas M. Rescher, Rik Hooijer, Aladin Ullrich, Nina A. Henke, Immanuel Plangger, Erkan Aydin, Bert Nickel, Anne K. Schütz, Wolfgang Brütting, Alexander S. Urban   +13 more
wiley   +1 more source