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.

Solvothermal synthesis and electrochemical properties of S-doped Bi2Se3 hierarchical microstructure assembled by stacked nanosheets

Abstract: Hierarchical S-doped Bi2Se3 microspheres assembled by stacked nanosheets were successfully synthesized as the anode of a lithium ion battery, which shows an initial discharge capacity of 771.3 mA h g−1 with great potential in energy storage.

Stable Lithium Metal Anode Enabled by 3D Soft Host.

Abstract: Lithium (Li) metal is among the most promising anode materials for next-generation rechargeable batteries. However, inevitable Li dendrite growth and huge volume expansion severely restrict its pra...

Perylene diimide-based cathode interfacial materials: adjustable molecular structures and conformation, optimized film morphology, and much improved performance of non-fullerene polymer solar cells

Abstract: Non-fullerene polymer solar cells (PSCs) have earned widespread attention on account of their distinct advantages, such as low-cost solution processability, tunable energy levels and suitability for large-scale production. Herein, a series of perylene diimide (PDI) derivatives with different sizes of side and terminal groups are developed and used as cathode interfacial layers (CILs) for conventional non-fullerene polymer solar cells. The regulation of molecular structures can change the film morphology and improve the device performance. Taking PDI-NBr without a side group as the reference, the device modified with P3P-NBr bearing m-terphenyl as the side group shows much increased power conversion efficiency (PCE) by 46% (7.14% versus 10.46%). Moreover, once the terminal group changes to amino N-oxide (NO), PSC based on P1P-NO with a suitable side group displays the champion PCE of 11.56% and much improved stability, providing a new method to optimize the interfacial materials for non-fullerene PSCs.

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.