Beyond real: Alternative unitary cluster Jastrow models for molecular electronic structure calculations on near-term quantum computers

Posted by dbos Berkeley

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) […]


Continue.. Beyond real: Alternative unitary cluster Jastrow models for molecular electronic structure calculations on near-term quantum computers

Beyond real: Alternative unitary cluster Jastrow models for molecular electronic structure calculations on near-term quantum computers

Posted by dbos Berkeley

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) […]


Continue.. Beyond real: Alternative unitary cluster Jastrow models for molecular electronic structure calculations on near-term quantum computers

Unconventional polaronic ground state in superconducting LiTi$_2$O$_4$

Posted by dbos Cornell

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 […]


Continue.. Unconventional polaronic ground state in superconducting LiTi$_2$O$_4$

Stacking-Selective Epitaxy of Rare-Earth Diantimonides

Posted by dbos Caltech

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 […]


Continue.. Stacking-Selective Epitaxy of Rare-Earth Diantimonides

DynamicDTA: Drug-Target Binding Affinity Prediction Using Dynamic Descriptors and Graph Representation

Posted by dbos Cornell

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 […]


Continue.. DynamicDTA: Drug-Target Binding Affinity Prediction Using Dynamic Descriptors and Graph Representation

PtyRAD: A High-performance and Flexible Ptychographic Reconstruction Framework with Automatic Differentiation

Posted by dbos Cornell

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 […]


Continue.. PtyRAD: A High-performance and Flexible Ptychographic Reconstruction Framework with Automatic Differentiation

Weak transcription factor clustering at binding sites can facilitate information transfer from molecular signals

Posted by dbos Delft

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 […]


Continue.. Weak transcription factor clustering at binding sites can facilitate information transfer from molecular signals

Resonant Self-Diffraction of Femtosecond Extreme Ultraviolet Pulses in Cobalt

Posted by dbos Caltech

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 […]


Continue.. Resonant Self-Diffraction of Femtosecond Extreme Ultraviolet Pulses in Cobalt

Differentiable NMS via Sinkhorn Matching for End-to-End Fabric Defect Detection

Posted by dbos Berkeley

Kavli Affiliate: Feng Wang | First 5 Authors: Zhengyang Lu, Bingjie Lu, Weifan Wang, Feng Wang, | Summary: Fabric defect detection confronts two fundamental challenges. First, conventional non-maximum suppression disrupts gradient flow, which hinders genuine end-to-end learning. Second, acquiring pixel-level annotations at industrial scale is prohibitively costly. Addressing these limitations, we propose a differentiable NMS […]


Continue.. Differentiable NMS via Sinkhorn Matching for End-to-End Fabric Defect Detection