Zhen Li

Bio: Zhen Li is an academic researcher from Wuhan University. The author has contributed to research in topics: Medicine & Computer science. The author has an hindex of 127, co-authored 1712 publications receiving 71351 citations. Previous affiliations of Zhen Li include Tsinghua University & Hong Kong University of Science and Technology.

A pseudo-two-dimensional conjugated polysquaraine: an efficient p-type polymer semiconductor for organic photovoltaics and perovskite solar cells

Abstract: In this paper, an efficient p-type polymer semiconductor (PASQ-IDT) is first developed by integrating a two-dimensional (2D) structure concept into the design of squaraine-based π-conjugated polymers, and it shows multiple applications in both bulk-heterojunction polymer solar cells (BHJ-PSCs) and perovskite solar cells (PVSCs) with high performance. As the polymer-donor blended with a fullerene acceptor, PASQ-IDT can endow the derived additive-free single-junction PSCs and semi-transparent PSCs with impressive efficiencies of 6.35% and 4.03%, respectively, both of which are the highest values reported for polysquaraines. More encouragingly, PASQ-IDT not only exhibits good hole extraction/transport ability, but also shows very good surface wettability to the perovskite precursor solution to enable the growth of perovskites with high film quality, making it suitable as an efficient hole transporting material (HTM) for inverted PVSCs. Thus, a very promising efficiency of 18.29% with negligible hysteresis and good device stability can be delivered by PASQ-IDT-based inverted PVSCs in the absence of dopants, outperforming the PEDOT:PSS-based control devices (16.14%) and most dopant-free HTMs reported so far.

Precise Regulation of Distance between Associated Pyrene Units and Control of Emission Energy and Kinetics in Solid State

Abstract: Many approaches have been explored to tune emission behaviors of organic luminogens. However, precise regulation of distances in dimers is seldom reported. Here, four pyrene derivatives are present...

2DPASS: 2D Priors Assisted Semantic Segmentation on LiDAR Point Clouds

Abstract: As camera and LiDAR sensors capture complementary information used in autonomous driving, great efforts have been made to develop semantic segmentation algorithms through multi-modality data fusion. However, fusion-based approaches require paired data, i.e., LiDAR point clouds and camera images with strict point-to-pixel mappings, as the inputs in both training and inference, which seriously hinders their application in practical scenarios. Thus, in this work, we propose the 2D Priors Assisted Semantic Segmentation (2DPASS), a general training scheme, to boost the representation learning on point clouds, by fully taking advantage of 2D images with rich appearance. In practice, by leveraging an auxiliary modal fusion and multi-scale fusion-to-single knowledge distillation (MSFSKD), 2DPASS acquires richer semantic and structural information from the multi-modal data, which are then online distilled to the pure 3D network. As a result, equipped with 2DPASS, our baseline shows significant improvement with only point cloud inputs. Specifically, it achieves the state-of-the-arts on two large-scale benchmarks (i.e. SemanticKITTI and NuScenes), including top-1 results in both single and multiple scan(s) competitions of SemanticKITTI.

I and i

Abstract: There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality. Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

Fast parallel algorithms for short-range molecular dynamics

Abstract: Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Highly accurate protein structure prediction with AlphaFold

Abstract: Proteins are essential to life, and understanding their structure can facilitate a mechanistic understanding of their function. Through an enormous experimental effort1–4, the structures of around 100,000 unique proteins have been determined5, but this represents a small fraction of the billions of known protein sequences6,7. Structural coverage is bottlenecked by the months to years of painstaking effort required to determine a single protein structure. Accurate computational approaches are needed to address this gap and to enable large-scale structural bioinformatics. Predicting the three-dimensional structure that a protein will adopt based solely on its amino acid sequence—the structure prediction component of the ‘protein folding problem’8—has been an important open research problem for more than 50 years9. Despite recent progress10–14, existing methods fall far short of atomic accuracy, especially when no homologous structure is available. Here we provide the first computational method that can regularly predict protein structures with atomic accuracy even in cases in which no similar structure is known. We validated an entirely redesigned version of our neural network-based model, AlphaFold, in the challenging 14th Critical Assessment of protein Structure Prediction (CASP14)15, demonstrating accuracy competitive with experimental structures in a majority of cases and greatly outperforming other methods. Underpinning the latest version of AlphaFold is a novel machine learning approach that incorporates physical and biological knowledge about protein structure, leveraging multi-sequence alignments, into the design of the deep learning algorithm. AlphaFold predicts protein structures with an accuracy competitive with experimental structures in the majority of cases using a novel deep learning architecture.