A5100624641- Protein Structure and Dynamics
- Machine Learning in Materials Science
- Advanced Chemical Physics Studies
- Spectroscopy and Quantum Chemical Studies
- Machine Learning and Data Classification
- Computational Drug Discovery Methods
- Astronomy and Astrophysical Research
- Advanced Antenna and Metasurface Technologies
- Metamaterials and Metasurfaces Applications
- Nanowire Synthesis and Applications
- Privacy-Preserving Technologies in Data
- Photonic and Optical Devices
- Semiconductor Quantum Structures and Devices
- Phase Change Materials Research
- Mobile Crowdsensing and Crowdsourcing
- Dielectric materials and actuators
- CCD and CMOS Imaging Sensors
- Thermal properties of materials
- Icing and De-icing Technologies
- Wildlife-Road Interactions and Conservation
- RNA and protein synthesis mechanisms
- Electromagnetic wave absorption materials
- Workplace Violence and Bullying
- Transition Metal Oxide Nanomaterials
- Noise Effects and Management
Harbin Institute of Technology
2022-2024
Zhejiang University
2009-2024
Westlake University
2020-2024
Suzhou Research Institute
2024
Quantitative BioSciences
2023
Rutgers, The State University of New Jersey
2023
University of Chinese Academy of Sciences
2023
Shanghai Astronomical Observatory
2023
Shanghai University of International Business and Economics
2023
Dongguan University of Technology
2023
DeePMD-kit is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials known as Deep Potential (DP) models. This package, which was released in 2017, has been widely used the fields of physics, chemistry, biology, and material science for studying atomistic systems. The current version offers numerous advanced features, such DeepPot-SE, attention-based hybrid descriptors, ability to fit tensile properties, type embedding, model...
Abstract Aqueous zinc-ion batteries provide a most promising alternative to the existing lithium-ion due their high theoretical capacity, intrinsic safety, and low cost. However, commercializing aqueous suffer from dendritic growth side reactions on surface of metallic zinc, resulting in poor reversibility. To overcome this critical challenge, here, we report one-step ultrafast laser processing method for fabricating three-dimensional micro-/nanostructures zinc anodes optimize nucleation...
Zinc-containing proteins are vital for many biological processes, yet accurately modeling them using classical force fields is hindered by complicated polarization and charge transfer effects. This study introduces DP/MM, a hybrid field scheme that utilizes deep potential model to correct the atomic forces of zinc ions their coordinated atoms, elevating from MM QM levels accuracy. Trained on difference between across diverse coordination groups, DP/MM faithfully reproduces structural...
We demonstrate a compact hybrid structure red-green-ultraviolet three-color laser consisting of three distinct semiconductor nanowires (CdSe, CdS and ZnO) attached to silica microfiber, which is pumped by 355 nm wavelength pulses. The exciting the collection photoluminescence (PL) are implemented means evanescent coupling through same microfiber. When pump energy higher than 1.3 microJ, spatially spectrally lasing groups can be measured at output port simultaneously. approach extended other...
Machine learning potentials, particularly the deep potential (DP) model, have revolutionized molecular dynamics (MD) simulations, striking a balance between accuracy and computational efficiency. To facilitate DP model’s integration with popular MD engine OpenMM, we developed versatile OpenMM plugin. This plugin supports range of applications, from conventional simulations to alchemical free energy calculations hybrid DP/MM simulations. Our extensive validation tests encompassed conservation...
Epigenetic alternation is a common contributing factor to neoplastic transformation. Although previous studies have reported cluster of aberrant promoter methylation changes associated with silencing tumor suppressor genes, little known concerning their sequential DNA during the carcinogenetic process. The aim present study was address genome-wide search for identifying potentially important methylated and investigate onset pattern progression colorectal neoplasia. A three-phase design...
Green buildings should respect nature and endeavor to mitigate harmful effects the environment occupants. This is often interpreted as creating sustainable sites, consuming less energy water, reusing materials, providing excellent indoor environmental quality. Environmentally friendly also consider literally impact that they have on birds, millions of them. A major factor in bird collisions with choice building materials. These choices are usually made by architect who may not be aware issue...
Calcium ions are important messenger molecules in cells, which bind calcium-binding proteins to trigger many biochemical processes. We constructed four model systems, each containing one EF-hand loop of calmodulin with calcium ion bound, and investigated the binding energy free Ca2+ by quantum mechanics symmetry-adapted perturbation theory (SAPT) method molecular additive CHARMM36m (C36m) polarizable Drude force fields (FFs). Our results show that explicit introduction polarizability not...
The regional ecological security and sustainable development are impacted by the changing terrain pattern. It is important to investigate temporal spatial shifts in coastal city landscape patterns As they have significant directing implications for pattern improvement. analytical results of index zone Nansha District Guangzhou investigated at three levels: patch level scale, type overall utilizing method calculating LPI, which based on site data land use years 1987 2020. findings indicate...
The representatives of relaxor ferroelectric (1-x)Pb(Zn1/3Nb2/3)O3-xPbTiO3 (PZNT) and (1-x)Pb(Mg1/3Nb2/3)O3-xPbTiO3 (PMNT) have been extensively studied due to their excellent dielectric piezoelectric properties near the morphotropic phase boundary (MPB). However, low rhombohedral tetragonal transition temperature Curie directly affect performance stability devices, particularly for high-power ultrasonic transducers. In this paper, large size 0.62Pb(In1/2Nb1/2)O3-0.38PbTiO3 (PINT) crystal...
<p> Artificial intelligence technology has already had a profound impact in various fields such as economy, industry, and education, but still limited. Meta-learning, also known "learning to learn", provides an opportunity for general artificial intelligence, which can break through the current AI bottleneck. However, meta learning started late there are fewer projects compare with CV, NLP etc. Each deployment requires lot of experience configure environment, debug code or even...
Personalized federated learning becomes a hot research topic that can learn personalized model for each client. Existing models prefer to aggregate similar clients with data distribution improve the performance of models. However, similaritybased methods may exacerbate class imbalanced problem. In this paper, we propose novel Dynamic Affinity-based Federated Learning (DA-PFL) alleviate problem during learning. Specifically, build an affinity metric from complementary perspective guide which...
Locating plausible transition paths and enhanced sampling of rare events are fundamental to understanding the functional dynamics biomolecules. Here, a constraint-based constant advance replicas (CAR) formalism reaction is reported for identifying most probable path (MPTP) between two given states. We derive temporal-integrated effective governing projected subsystem under holonomic CAR constraints show that dynamical action can be defined used optimizing MPTP. further demonstrate how MPTP...
DeePMD-kit is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials (MLP) known as Deep Potential (DP) models. This package, which was released in 2017, has been widely used the fields of physics, chemistry, biology, and material science for studying atomistic systems. The current version offers numerous advanced features such DeepPot-SE, attention-based hybrid descriptors, ability to fit tensile properties, type embedding,...
The chain-of-states (CoS) constant advance replicas (CAR) method and its climbing image variant (CI-CAR) for locating minimum energy paths (MEPs) transition states are reported. CAR algorithm applies the Lagrange multiplier imposing holonomic constraints on a chain-of-replicas, aiming to maintain equal mass-weighted/scaled root-mean-square (RMS) distances between adjacent by removing sliding-down displacements contributed potential gradients during path optimization. Two contextual...