Kavli Affiliate: David T. Limmer | First 5 Authors: Sonal Maroo, Leonardo Coello Escalante, Yizhe Wang, Matthew P. Erodici, Jonathon N. Nessralla | Summary: The activation free energy of electron transfer (ET) reactions is governed by a crucial parameter: the reorganization energy. In heterogeneous ET at electrified solid-liquid interfaces, it is presumed that only factors […]
Kavli Affiliate: Birgitta Whaley | First 5 Authors: Nikolay V. Tkachenko, Hang Ren, Wendy M. Billings, Rebecca Tomann, K. Birgitta Whaley | Summary: Near-term quantum devices require wavefunction ans"atze that are expressive while also of shallow circuit depth in order to both accurately and efficiently simulate molecular electronic structure. While unitary coupled cluster (e.g., UCCSD) […]
Kavli Affiliate: Birgitta Whaley | First 5 Authors: Nikolay V. Tkachenko, Hang Ren, Wendy M. Billings, Rebecca Tomann, K. Birgitta Whaley | Summary: Near-term quantum devices require wavefunction ans"atze that are expressive while also of shallow circuit depth in order to both accurately and efficiently simulate molecular electronic structure. While unitary coupled cluster (e.g., UCCSD) […]
Kavli Affiliate: Darrell G. Schlom | First 5 Authors: Zubia Hasan, Grace A. Pan, Harrison LaBollita, Austin Kaczmarek, Suk Hyun Sung | Summary: Geometrically frustrated lattices can display a range of correlated phenomena, ranging from spin frustration and charge order to dispersionless flat bands due to quantum interference. One particularly compelling family of such materials […]
Kavli Affiliate: Wei Gao | First 5 Authors: Fan Xu, Wuyang Chen, Wei Gao, , | Summary: Decision trees and forests have achieved successes in various real applications, most working with all testing classes known in training data. In this work, we focus on learning with augmented class via forests, where an augmented class may […]
Kavli Affiliate: Joseph Falson | First 5 Authors: Reiley Dorrian, Jinwoong Kim, Adrian Llanos, Veronica Show, Mizuki Ohno | Summary: Deterministic control of the layering configuration of two-dimensional quantum materials plays a central role in studying their emergent electronic properties. Here we demonstrate in-situ control over competing stacking configurations in thin film crystals of the […]
Kavli Affiliate: Dan Luo | First 5 Authors: Dan Luo, Jinyu Zhou, Le Xu, Sisi Yuan, Xuan Lin | Summary: Predicting drug-target binding affinity (DTA) is essential for identifying potential therapeutic candidates in drug discovery. However, most existing models rely heavily on static protein structures, often overlooking the dynamic nature of proteins, which is crucial […]
Kavli Affiliate: David A. Muller | First 5 Authors: Chia-Hao Lee, Steven E. Zeltmann, Dasol Yoon, Desheng Ma, David A. Muller | Summary: Electron ptychography has recently achieved unprecedented resolution, offering valuable insights across diverse material systems, including in three dimensions. However, high-quality ptychographic reconstruction is computationally expensive and time consuming, requiring a significant amount […]
Kavli Affiliate: Jos W. Zwanikken | First 5 Authors: Tamara Mijatović, Aimée R. Kok, Jos W. Zwanikken, Marianne Bauer, | Summary: Transcription factor concentrations provide signals to cells that allow them to regulate gene expression to make correct cell fate decisions. Calculations for noise bounds in gene regulation suggest that clustering or cooperative binding of […]
Kavli Affiliate: Scott K. Cushing | First 5 Authors: Alexei A. Maznev, Wonseok Lee, Scott K. Cushing, Dario De Angelis, Danny Fainozzi | Summary: Self-diffraction is a non-collinear four-wave mixing technique well-known in optics. We explore self-diffraction in the extreme ultraviolet (EUV) range, taking advantage of intense femtosecond EUV pulses produced by a free electron […]