Tootfinder

#Blakes7 Series B, Episode 06 - Trial
SERVALAN: I was watching Samor. What Travis said bothered him!
THANIA: You were watching?
https://blake.torpidity.net/m/206/485 B7B1

Blakes7Bot | Search
Companion site to the Blakes7Bot Twitter, Mastodon, and Bluesky accounts. Automated lines of Blakes 7 dialog. Includes a script search facility.

Natural Language Guided Ligand-Binding Protein Design
Zhenqiao Song, Ramith Hettiarachchi, Chuan Li, Jianwen Xie, Lei Li
https://arxiv.org/abs/2506.09332 h…

Natural Language Guided Ligand-Binding Protein Design
Can AI protein models follow human language instructions and design proteins with desired functions (e.g. binding to a ligand)? Designing proteins that bind to a given ligand is crucial in a wide range of applications in biology and chemistry. Most prior AI models are trained on protein-ligand complex data, which is scarce due to the high cost and time requirements of laboratory experiments. In contrast, there is a substantial body of human-curated text descriptions about protein-ligand interac…

Exotic multistrange-anticharm baryon systems
Jing Song, Eulogio Oset
https://arxiv.org/abs/2506.09262 https://arxiv.org/pdf/2506.0926…

Exotic multistrange-anticharm baryon systems
We study exotic baryon systems composed of anticharmed mesons and strange baryons using the extended local hidden gauge approach. By solving the coupled-channel Bethe-Salpeter equation with interaction kernels from vector meson exchange, we explore the formation of hadronic molecular states in sectors with strangeness $S = -1$, $-2$, $-3$ and $-4$. A bound state with a mass of 2888 MeV is found in the $S = -1$ sector with the channels $\bar{D}_s N, ~\bar{D} Λ, ~\bar{D} Σ$. In the $S = -2$ sec…

Hall effect in isolated flat-band systems
Raigo Nagashima, Masao Ogata, Naoto Tsuji
https://arxiv.org/abs/2506.09535 https://arxiv.or…

Hall effect in isolated flat-band systems
We study the Hall effect in isolated flat-band systems (i.e., a flat band is separated from other bands) for a weak magnetic field. In a naive semiclassical picture, the Hall conductivity vanishes when dispersive bands are unoccupied since there is no mobile carrier. To go beyond the semiclassical picture, we establish a fully quantum mechanical gauge-invariant formula for the Hall conductivity that can be applied to any lattice models. We apply the formula to a general two-band model with one …

Overcoming logarithmic singularities in the Cahn-Hilliard equation with Flory-Huggins potential: An unconditionally convergent ADMM approach
Ruo Li, Shengtong Liang, Zhonghua Qiao
https://arxiv.org/abs/2506.09361

Overcoming logarithmic singularities in the Cahn-Hilliard equation with Flory-Huggins potential: An unconditionally convergent ADMM approach
The Cahn-Hilliard equation with Flory-Huggins potential serves as a fundamental phase field model for describing phase separation phenomena. Due to the presence of logarithmic singularities at $u=\pm 1$, the solution $u$ is constrained within the interval $(-1,1)$. While convex splitting schemes are commonly employed to preserve this bound and guarantee unconditional unique solvability, their practical implementation requires solving nonlinear systems containing singular logarithmic terms at ea…

Going beyond density functional theory accuracy: Leveraging experimental data to refine pre-trained machine learning interatomic potentials
Shriya Gumber, Lorena Alzate-Vargas, Benjamin T. Nebgen, Arjen van Veelen, Smit Kadvani, Tammie Gibson, Richard Messerly
https://arxiv.org/abs/2506.10211

Going beyond density functional theory accuracy: Leveraging experimental data to refine pre-trained machine learning interatomic potentials
Machine learning interatomic potentials (MLIPs) are inherently limited by the accuracy of the training data, usually consisting of energies and forces obtained from quantum mechanical calculations, such as density functional theory (DFT). Since DFT itself is based on several approximations, MLIPs may inherit systematic errors that lead to discrepancies with experimental data. In this paper, we use a trajectory re-weighting technique to refine DFT pre-trained MLIPs to match the target experiment…

Surface Induced Frustration of Inherent Dipolar Order in Nanoconfined Water
Sayantan Mondal, Saumyak Mukherjee, Biman Bagchi
https://arxiv.org/abs/2506.09809

Surface Induced Frustration of Inherent Dipolar Order in Nanoconfined Water
Surface effects could play a dominant role in modifying the natural liquid order. In some cases, the effects of the surface interactions can propagate inwards, and even can interfere with a similar propagation from opposite surfaces. This can be particularly evident in liquid water under nano-confinement. The large dipolar cross-correlations among distinct molecules that give rise to the unusually large dielectric constant of water (and in turn owe their origin to the extended hydrogen bond (HB…

High-Accuracy Dispersion Surfaces Measurement Unlocks Photonic Crystal Slabs Topology
Karen Caicedo, Fabrizio Sgrignuoli, Adam Schwartzberg, Scott Duehy, Silvia Romano, Gianluigi Zito, Ivo Rendina, Vito Mocella
https://arxiv.org/abs/2506.10214

High-Accuracy Dispersion Surfaces Measurement Unlocks Photonic Crystal Slabs Topology
Characterization of dispersion surfaces (DS) in photonic crystals (PhCs) can predict striking topological features, such as bound states in the continuum (BICs). Precise measurement of dispersion, particularly near the Γ-point, is crucial since even subtle geometric deviations significantly impact the distribution of topological charges and associated polarization singularities. Here, we propose a novel technique to measure DS of PhC slabs with high angular accuracy of up to 3 x 10^(-4) radian…

Asymmetric Electronic Band Alignment and Potentially Enhanced Thermoelectric Properties in Phase-Separated Mg2X (X=Si,Ge,Sn) Alloys
Byungki Ryu, Samuel Foster, Eun-Ae Choi, Sungjin Park, Jaywan Chung, Johannes de Boor, Pawel Ziolkowski, Eckhard M\"uller, Seung Zeon Han, SuDong Park, Neophytos Neophytou
https://arxiv.org/abs…

Asymmetric Electronic Band Alignment and Potentially Enhanced Thermoelectric Properties in Phase-Separated Mg2X (X=Si,Ge,Sn) Alloys
The Mg2X (X=Si, Ge, Sn) based alloy is an eco-friendly thermoelectric material for mid-temperature applications. The Mg2Si1-xSnx and Mg2Ge1-xSnx alloys can be phase-separated into Si(Ge)- and Sn-rich phases during material synthesis, leading to a nanocomposite with locally varying electronic band structure. First-principles calculations reveal that the valence band offset is eight-times larger than the conduction band offset at the interface between Si- and Sn-rich phases for x=0.6, showing typ…

Micro-Macro Modeling of Polymeric Fluids with Multi-Bead Polymer Chain
Xuelian Bao, Lidong Fang, Huaxiong Huang, Zilong Song, Shixin Xu
https://arxiv.org/abs/2506.08377

Micro-Macro Modeling of Polymeric Fluids with Multi-Bead Polymer Chain
This work extends the classical dumbbell (two-bead) model of polymer chains to a more detailed multi-bead representation, where each polymer chain consists of $N$ beads connected by $N-1$ springs. We develop a thermodynamically consistent micro-macro model based on the energy variational method to describe the coupled dynamics of polymer configurations and fluid flow. The resulting framework captures complex microscopic behaviors, such as bond stretching and alignment under flow, and links them…