Results 181 to 190 of about 3,882,254 (252)

Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer. [PDF]

Chem Sci, 2023
Asthana A, Kumar A, Abraham V, Grimsley H, Zhang Y, Cincio L, Tretiak S, Dub PA, Economou SE, Barnes E, Mayhall NJ.   +10 more
europepmc   +1 more source

Beyond Presumptions: Toward Mechanistic Clarity in Metal‐Free Carbon Catalysts for Electrochemical H2O2 Production via Data Science

Advanced Materials, EarlyView.
Metal‐free carbon catalysts enable the sustainable synthesis of hydrogen peroxide via two‐electron oxygen reduction; however, active site complexity continues to hinder reliable interpretation. This review critiques correlation‐based approaches and highlights the importance of orthogonal experimental designs, standardized catalyst passports ...
Dayu Zhu, Hsi‐wen Wu, Xiao Wang, Jie Zhang   +3 more
wiley   +1 more source

Detecting the purely imaginary Fisher zeros of an Ising spin system on a quantum computer. [PDF]

Sci Rep
Kuzmak AR, Tkachuk VM.
europepmc   +1 more source

Intelligent pharmaceutical patent search on a near-term gate-based quantum computer. [PDF]

Sci Rep, 2022
Wang PH, Chen JH, Tseng YJ.
europepmc   +1 more source

Energetic Offset in Organic Solar Cells‐ Importance, Confusion and Outlook

Advanced Materials, EarlyView.
Energetic offsets in organic solar cells (OSCs) remain a subject of debate due to measurement‐ and lab‐dependent discrepancies. This Perspective clarifies the physical origins of these variations and identifies temperature‐dependent electro‐optical methods as a reliable approach to obtain consistent offset values.
Nakul Jain, Xian'e Li, Mats Fahlman, Olle Inganäs, Koen Vandewal, Feng Gao   +5 more
wiley   +1 more source

Probing the Kitaev honeycomb model on a neutral-atom quantum computer. [PDF]

Nature
Evered SJ, Kalinowski M, Geim AA, Manovitz T, Bluvstein D, Li SH, Maskara N, Zhou H, Ebadi S, Xu M, Campo J, Cain M, Ostermann S, Yelin SF, Sachdev S, Greiner M, Vuletić V, Lukin MD.   +17 more
europepmc   +1 more source

Noise-robust optimization of quantum machine learning models for polymer properties using a simulator and validated on the IonQ quantum computer. [PDF]

Sci Rep, 2022
Ishiyama Y, Nagai R, Mieda S, Takei Y, Minato Y, Natsume Y.   +5 more
europepmc   +1 more source

Evidence for Itinerant Ferromagnetic Flat Bands Producing Large Transverse Responses

Advanced Materials, EarlyView.
Itinerant ferromagnetic flat bands are demonstrated in GdCo5 with a high Curie temperature of 940K, a stacked honeycomb–kagome lattice, through angle‐resolved photoemission spectroscopy and magneto‐thermoelectric measurements. These topological flat bands generate large Berry curvaturte, producing gigantic anomalous Nernst effect with record‐high ...
Susumu Minami, Yangming Wang, Seigo Souma, Hiroto Nakamura, Akito Sakai, Takumi Osumi, Hang Su, Hikaru Watanabe, Shun'ichiro Kurosawa, Rikuto Oiwa, Daisuke Nishio‐Hamane, Kosuke Nakayama, Takuya Nomoto, Ryotaro Arita, Takafumi Sato, Satoru Nakatsuji   +15 more
wiley   +1 more source

Measuring correlation and entanglement between molecular orbitals on a trapped-ion quantum computer. [PDF]

Sci Rep
Greene-Diniz G, Self CN, Krompiec M, Coopmans L, Benedetti M, Muñoz Ramo D, Rosenkranz M.   +6 more
europepmc   +1 more source

Role of the Recombination Zone in Organic Light‐Emitting Devices

Advanced Materials, EarlyView.
This review summarizes the critical role of the recombination zone in organic light‐emitting diodes (OLEDs). We highlight that broadening the recombination zone in OLEDs based on emissive layers with balanced charge transport and high photoluminescence quantum yields provides a promising route toward achieving both long operational lifetime and high ...
Yungui Li, Karl Leo
wiley   +1 more source