arXiv subjects

Andong Liu

Publications and source records attributed to Andong Liu.

4 recordsLinked to original sources

arXiv2026

$g$-wave altermagnetic order parameter in hematite

Altermagnets combine the vanishing net magnetization of antiferromagnets with momentum-dependent spin splitting. Magnon band splitting provides a direct probe of altermagnetic order and may enable chirality-selective magnon transport, yet the momentum-space symmetry of this splitting has not been determined quantitatively. Here we use inelastic neutron scattering to map the momentum dependence of altermagnetic magnon splitting in hematite ($α$-Fe$_2$O$_3$). The splitting vanishes along nodal directions and reaches maxima off the nodes, revealing the $g$-wave symmetry of the altermagnetic order parameter. These results agree with linear spin-wave theory calculations based on the altermagnetic model, which further identify the nondegenerate branches as magnons of opposite chirality and trace the splitting to symmetry-inequivalent long-range exchange interactions. Our results provide the first quantitative determination of the momentum-space symmetry of altermagnetic chiral magnons. These findings, together with hematite's high magnetic ordering temperature and low magnon damping, establish it as a promising platform for low-dissipation, symmetry-selective magnonic applications.

cond-mat.str-el↗

arXiv2025

Unraveling the Molecular Structure of Lipid Nanoparticles through in-silico Self-Assembly for Rational Delivery Design

Lipid nanoparticles (LNPs) are a leading platform in the delivery of RNA-based therapeutics, playing a pivotal role in the clinical success of mRNA vaccines and other nucleic acid drugs. Their performance in RNA encapsulation and delivery is critically governed by the molecular structure of ionizable lipids and the overall formulation composition. However, mechanistic insight into how these factors govern LNP architecture and function remains limited, primarily owing to the challenges of capturing nanoscale assembly and organization using experimental techniques. Here, we employ coarse-grained molecular dynamics simulations to systematically investigate how ionizable lipid chemistry influences LNP self-assembly, internal organization, and surface properties. We further explore the effects of formulation ratios and pH-dependent deprotonation on both the internal structure and surface morphology of LNPs. Leveraging these insights, we demonstrate how in silico structural characteristics can inform the rational design of novel ionizable lipids and optimization of formulation ratios, supported with experimental validations. Our findings offer a molecular-level understanding of LNP assembly dynamics and architecture, thereby establishing a computational framework linking lipid chemistry and LNP formulation to the structure and performance of LNP, to advance the rational design of novel LNP delivery systems.

cond-mat.soft↗

arXiv2025

LipidBERT: A Lipid Language Model Pre-trained on METiS de novo Lipid Library

In this study, we generate and maintain a database of 10 million virtual lipids through METiS's in-house de novo lipid generation algorithms and lipid virtual screening techniques. These virtual lipids serve as a corpus for pre-training, lipid representation learning, and downstream task knowledge transfer, culminating in state-of-the-art LNP property prediction performance. We propose LipidBERT, a BERT-like model pre-trained with the Masked Language Model (MLM) and various secondary tasks. Additionally, we compare the performance of embeddings generated by LipidBERT and PhatGPT, our GPT-like lipid generation model, on downstream tasks. The proposed bilingual LipidBERT model operates in two languages: the language of ionizable lipid pre-training, using in-house dry-lab lipid structures, and the language of LNP fine-tuning, utilizing in-house LNP wet-lab data. This dual capability positions LipidBERT as a key AI-based filter for future screening tasks, including new versions of METiS de novo lipid libraries and, more importantly, candidates for in vivo testing for orgran-targeting LNPs. To the best of our knowledge, this is the first successful demonstration of the capability of a pre-trained language model on virtual lipids and its effectiveness in downstream tasks using web-lab data. This work showcases the clever utilization of METiS's in-house de novo lipid library as well as the power of dry-wet lab integration.

cs.CL↗

arXiv2023

A Homotopy Invariant Based on Convex Dissection Topology and a Distance Optimal Path Planning Algorithm

The concept of path homotopy has received widely attention in the field of path planning in recent years. In this article, a homotopy invariant based on convex dissection for a two-dimensional bounded Euclidean space is developed, which can efficiently encode all homotopy path classes between any two points. Thereafter, the optimal path planning task consists of two steps: (i) search for the homotopy path class that may contain the optimal path, and (ii) obtain the shortest homotopy path in this class. Furthermore, an optimal path planning algorithm called CDT-RRT* (Rapidly-exploring Random Tree Star based on Convex Division Topology) is proposed. We designed an efficient sampling formula for CDT-RRT*, which gives it a tendency to actively explore unknown homotopy classes, and incorporated the principles of the Elastic Band algorithm to obtain the shortest path in each class. Through a series of experiments, it was determined that the performance of the proposed algorithm is comparable with state-of-the-art path planning algorithms. Hence, the application significance of the developed homotopy invariant in the field of path planning was verified.

cs.RO↗