朱有亮课题组

Gaussian curvature engineering of self-pressurizing mesoporous nanoreactors boosts dynamic equilibrium of molecule adsorption-desorption

Sun, 07 Dec 2025 00:00:00 +0000

Modeling for nanoparticle-stabilized, robust small-domain bicontinuous emulsions

Sun, 07 Dec 2025 00:00:00 +0000

Molecular competition induced Janus hydrogel bioelectronic interface for electroceutical modulation

Sun, 07 Dec 2025 00:00:00 +0000

软件平台

Mon, 27 Oct 2025 00:00:00 +0000

Fri, 10 Oct 2025 00:00:00 +0000

Polymerisation‐Induced Self‐Assembly on Planar Surfaces:A New Approach for Controlling Surface Topography and Modulating Material‐Bio Interactions

Mon, 22 Sep 2025 00:00:00 +0000

吉林大学化学学院介观尺度分子模拟软件平台建设取得最新进展

Thu, 28 Aug 2025 00:00:00 +0000

近日，吉林大学化学学院超分子结构与材料全国重点实验室吕中元教授/朱有亮研究员团队在软物质介观尺度分子模拟软件平台建设方面取得最新进展。

2025年8月14日新加坡国立大学、韩国梨花女子大学、吉林大学、清华大学和美国密歇根大学等单位联合在Science发表题为"Hierarchical chiral supramolecular assemblies with strong and invertible chiroptical properties"的研究论文，其中吉林大学团队通过介观尺度分子模拟揭示了非手性两亲性单分子胶束与手性添加剂的协同组装机制、多级次手性超结构形成动力学过程以及手性反转亚稳态的结构起源。该研究为设计具有超高手性光学活性的智能材料提供了理论指导，对理解超分子手性自组装行为有重要意义。吉林大学吕中元教授为该论文的共同通讯作者。论文地址：https://www.science.org/doi/10.1126/science.adu0296。

2025年5月13日，内蒙古大学、复旦大学和吉林大学等单位联合在Nature Nanotechnology发表题为"Paddle-like self-stirring nanoreactors with multi-chambered mesoporous branches for enhanced dual-dynamic cascade reactions"的研究论文，其中吉林大学团队通过介观尺度分子模拟取得了关键发现，包括微观磁搅拌引发的传质/传动量耦合效应、反应路径动态演化机制以及副反应抑制的分子基础。这些发现指导设计具有自搅拌功能的多腔室纳米反应器，实现了反应效率的指数级提升，对非均相催化纳米反应器的发展有重要推动作用。吉林大学朱有亮研究员为该论文的共同通讯作者。论文地址：https://www.nature.com/articles/s41565-025-01915-2。

上述进展得益于吕中元教授/朱有亮研究员团队长期坚持的介观尺度软物质分子模拟软件平台建设工作–成功研制了具有完全自主知识产权的软件平台PyGAMD（软著登字第8522235号）。作为国家“十四五”重点研发计划“关键聚合物结构材料集成计算设计方法与应用”项目（2022YFB3707300）的标志性成果，该软件平台实现了从基础算法到应用的全链条创新，集成了具有自主知识产权的聚合物分子构型生成工具、分子动力学模拟引擎、数据分析程序、分子动力学解释器和机器学习力场等功能模块；支持国产异构计算平台，构建了从软件到硬件的自主可控技术体系；具有9个自主开发的介观尺度分子模拟方法/模型，应用模拟结果已在Science等刊物上发表文章超过300篇；软件应用在吉林省亚安新材料有限公司、北京玲珑轮胎有限公司等单位的聚合物材料研发中，显著加速研发进程和降低研发成本。该软件平台不仅加强了我国在高端分子模拟软件领域的实力，更为突破国外技术垄断、实现关键材料自主研发提供了强有力的工具支撑。

介观尺度分子模拟研究背景介绍：软物质体系（包括高分子、超分子、生物大分子、胶体和流体等）在介观尺度（空间尺度：10纳米-10微米；时间尺度：10纳秒-10微秒）的聚集态结构与动力学行为对材料性能和生物功能具有决定性影响。这一关键尺度领域长期面临理论计算研究的重大挑战：宏观尺度的连续介质方法因忽略分子细节并不适用，而经典分子动力学又受限于计算尺度（通常<10纳米/<10纳秒）。面对这一“介观荒漠”难题，吉林大学吕中元教授/朱有亮研究员团队通过方法学创新，在粗粒化模型和高性能算法两个核心维度取得重要突破，不仅攻克了介观尺度分子模拟软件的关键技术瓶颈，更在软物质多层次结构解析和动态行为预测等应用研究方面取得系列创新成果，为介观尺度科学研究提供了新的理论工具和方法支撑。

Insight into the Regulatory Role of Defect Evolution on the Growth of Single-Crystalline Covalent Organic Frameworks

Tue, 19 Aug 2025 00:00:00 +0000

Hierarchical chiral supramolecular assemblies with strong and invertible chiroptical properties

Thu, 14 Aug 2025 00:00:00 +0000

祝贺于向坤、于卓辰顺利通过毕业答辩取得博士学位，李子怡、郭盛宏顺利通过毕业答辩取得硕士学位并在组内继续修读博士学位。

Tue, 01 Jul 2025 00:00:00 +0000

Polymerization-Induced Self-Assembly for Modulating Assembly Pathways and Microstructures of Amphiphilic Gradient Copolymer Nanoparticles

Tue, 24 Jun 2025 00:00:00 +0000

Nanocluster-Based Liquid Crystal Electrolytes for Deformation-Responsive Proton Conductors

Wed, 18 Jun 2025 00:00:00 +0000

IPAMD:A Plugin-Based Software for Biomolecular Condensate Simulations

Tue, 10 Jun 2025 00:00:00 +0000

PyGAMD:Python graphics processing unit-accelerated molecular dynamics software

Tue, 03 Jun 2025 00:00:00 +0000

A skin-mimicking multifunctional hydrogel via hierarchical, reversible noncovalent interactions

Fri, 16 May 2025 00:00:00 +0000

Paddle-like self-stirring nanoreactors with multi-chambered mesoporous branches for enhanced dual-dynamic cascade reactions

Tue, 13 May 2025 00:00:00 +0000

Controlled release mechanism of drugs from onion-like dendrimersomes:insight from dissipative particle dynamics simulations

Wed, 30 Apr 2025 00:00:00 +0000

Controlling crystallization in covalent organic frameworks to facilitate photocatalytic hydrogen production | Nature Communications

Mon, 24 Feb 2025 00:00:00 +0000

恭喜朱有亮老师受邀任PS&T和MGE Advances青年编委

Mon, 03 Feb 2025 00:00:00 +0000

恭喜朱有亮老师受邀任Polymer Science & Technology（《高分子科学与技术（英文）》，简称“PS&T”）和Materials Genome Engineering Advances（《材料基因工程前沿（英文）》，简称“MGE Advances”）青年编委。

Polymer Science & Technology（《高分子科学与技术（英文）》，简称“PS&T”）是由中国科学院长春应用化学研究所主办，与美国化学会（ACS）出版部合作出版的一本全新的开放获取期刊。PS&T旨在促进高分子科学和技术的创新，助力可持续发展。PS&T的筹备工作始于2022年12月2日，并在2023年获得了中国科技期刊卓越行动计划高起点新刊项目的资助。期刊网址：https://pubs.acs.org/journal/pstoco，并计划在2025年春季出版第一期。中国科学院长春应用化学研究所陈学思院士担任PS&T的创刊主编，将带领该期刊积极传播高分子科学与技术领域的前沿跨学科成果，响应国家重大需求，并为广大科研人员提供一个高层次的国际学术交流平台。

《材料基因工程前沿（英文）》（Materials Genome Engineering Advances，简称：MGE Advances）作为材料基因工程领域首个高水平综合性学术期刊，其宗旨是面向国家重点战略布局与材料学科国际学术前沿发展的重大需求，聚焦材料基因工程领域，刊载先进材料计算、高通量/自动化/智能化材料实验技术、材料数据库与大数据技术等材料基因工程关键技术的研究进展和前沿成果，以及三者在材料新效应/新原理探索和新材料发现等方面的重要应用，创建一个跨学科多领域交叉融合的国际一流高水平出版平台和学术交流平台，推动新材料研发模式变革。

Nonconventional Full-Color Luminescent Polyurethanes:Luminescence Mechanism at the Molecular Orbital Level

Mon, 06 Jan 2025 00:00:00 +0000

第八届材料基因工程高层论坛

Wed, 13 Nov 2024 00:00:00 +0000

2024年11月13日至16日，由全国新材料大数据创新联盟与中国材料研究学会主办，宁德时代新能源科技股份有限公司、北京科技大学、北京云智材料大数据研究院承办的“第八届材料基因工程高层论坛”在福建省宁德市举行。此次论坛盛会群贤毕至，39位两院院士和海外院士出席，来自十余个国家和地区的180位海内外知名学者进行学术报告，千余位代表与会，共同探讨材料基因工程、新材料智能化研发、材料数据赋能等领域的前沿研究成果与发展方向，推动新材料科技和产业的智能化创新与突破。

朱有亮老师受邀以“A molecular dynamics simulation software for polymers”为题进行了邀请报告。

蒲鑫在第八届材料基因工程高层论坛举办的创能未来：材料基因工程应用成果竞展中获得一等奖，并以“Computer-Aided Structural Design of Solid Polymer Electrolytes”为题进行了报告。

中国化学会2024年软物质理论计算与模拟学术会议

Fri, 08 Nov 2024 00:00:00 +0000

2024年11月8-11日，中国化学会2024年软物质理论计算与模拟学术会议在广州成功举行。本课题组朱有亮老师与四位学生于向坤、徐嘉琦、蒲鑫、李子怡受邀参会。

朱有亮老师受邀以“高分子动力学模拟软件的创制和应用”为题进行了邀请报告。

于向坤受邀以“共价有机框架单晶的生长动力学”为题进行了口头报告。

蒲鑫和徐嘉琦分别以“聚氧化乙烯基全固态聚合物电解质多尺度模拟研究”和“二维柔性聚合物的折叠行为”为题制作了墙报进行展示，吸引了众多老师和学生参与交流讨论，为彼此的工作研究提供灵感和建议。其中徐嘉琦荣获优秀墙报奖。

Folding behaviors of two-dimensional flexible polymers

Wed, 23 Oct 2024 00:00:00 +0000

One-pot preparation of nonconventional luminescent polymer gels driven by polymerization

Tue, 24 Sep 2024 00:00:00 +0000

Charge Transfer Mechanisms of Adaptive Multicomponent Solutions at Solid–Liquid Interfaces for Real-Time Coolant State Monitoring

Wed, 21 Aug 2024 00:00:00 +0000

Kinetics of On-Surface Oligomer Formation Controlled by Concentration

Tue, 11 Jun 2024 00:00:00 +0000

Ultrasmall Single‐Chain Nanoparticles Derived from Amphiphilic Alternating Copolymers

Tue, 30 Apr 2024 00:00:00 +0000

Synergistic Cation‐π Interactions and PEDOT‐Based Protective Double‐Layer for High Performance Zinc Anode

Fri, 01 Mar 2024 00:00:00 +0000

Exploring the interplay of liquid crystal orientation and spherical elastic shell deformation in spatial confinement

Wed, 14 Feb 2024 00:00:00 +0000

Amphiphilic Polyurethane with Cluster-Induced Emission for Multichannel Bioimaging in Living Cell Systems

Tue, 16 Jan 2024 00:00:00 +0000

Small Things Make a Big Difference:Conductive Cross-Linking Sodium Alginate@MXene Binder Enables High-Volumetric-Capacity and High-Mass-Loading Li–S Battery

Wed, 22 Nov 2023 00:00:00 +0000

Synthesis of branched silica nanotrees using a nanodroplet sequential fusion strategy

Thu, 09 Nov 2023 00:00:00 +0000

2023年吉林大学“聚合物分子动力学软件培训班”在长春举行

Sat, 28 Oct 2023 00:00:00 +0000

2023年10月21-22日，由化学学院、唐敖庆理论化学基础学科中心举办的2023年吉林大学“聚合物分子动力学软件培训班” 在长春成功举行。培训班采取线下和线上相结合的方式同步进行，来自全国62所高校和科研机构的青年教师、研究生500余人参加本次培训班。

本次活动旨在培训国内从事分子模拟的科研一线人员使用由吉林大学朱有亮研究员和吕中元教授等人开发的聚合物分子模拟软件平台PYGAMD（http://pygamd.com/）。培训班课程设计逻辑清晰，既注重理论和方法的讲授，又着力培训软件的操作使用技巧。中国科学院长春应用化学研究所孙昭艳研究员致开幕词；吉林大学钱虎军教授和施睿副研究员分别介绍了聚合物分子动力学模拟方法和典型应用；吉林大学朱有亮研究员详细介绍了软件功能、安装和使用方法等，通过一系列重要的科研案例向学员讲授软件的实操技巧，以及这些操作所涉及的计算模拟方法原理。

聚合物分子模拟软件平台PYGAMD是“十四五”国家重点研发计划“关键聚合物结构材料集成计算设计方法与应用”项目（2022YFB3707300）支持的重要成果，集成了具有自主知识产权的聚合物分子构型生成工具、分子动力学模拟器、数据分析程序和分子动力学解释器等子软件，可以部署运行在国产异构计算平台，实现从软件到硬件的完全独立自主发展。作为国际上计算效率最高的分子动力学模拟软件之一，该软件平台具有九个自主开发的分子模拟方法，其模拟结果已在Science等刊物上发表文章超过两百篇。

本次培训班同时得到了吉林大学数学学院和曙光信息产业股份有限公司的大力支持。

Recastable assemblies of carbon dots into mechanically robust macroscopic materials

Wed, 25 Oct 2023 00:00:00 +0000

Dual Nanofillers-Reinforced Noncovalently Cross-Linked Polymeric Composites with Unprecedented Mechanical Strength

Wed, 04 Oct 2023 00:00:00 +0000

Helical structures of achiral liquid crystals under cylindrical confinement

Fri, 08 Sep 2023 00:00:00 +0000

The design of highly conductive and stretchable polymer conductors with low-load nanoparticles

Wed, 16 Aug 2023 00:00:00 +0000

Covalent Organic Framework with Multiple Redox Active Sites for High-Performance Aqueous Calcium Ion Batteries

Wed, 09 Aug 2023 00:00:00 +0000

In Situ Grown Silver–Polymer Framework with Coordination Complexes for Functional Artificial Tissues

Thu, 15 Jun 2023 00:00:00 +0000

Automatic Multiscale Method of Building up a Cross-linked Polymer Reaction System:Bridging SMILES to the Multiscale Molecular Dynamics Simulation

Thu, 01 Jun 2023 00:00:00 +0000

Bacterial lipids drive compartmentalization on the nanoscale

Thu, 25 May 2023 00:00:00 +0000

Defect transition of smectic liquid crystals confined in spherical cavities

Wed, 24 May 2023 00:00:00 +0000

Ionic-Nanophase Hybridization of Nafion by Supramolecular Patching for Enhanced Proton Selectivity in Redox Flow Batteries

Wed, 10 May 2023 00:00:00 +0000

Biomimetic spinning of soft functional fibres via spontaneous phase separation

Thu, 27 Apr 2023 00:00:00 +0000

Highly tough, degradable, and water-resistant bio-based supramolecular plastics comprised of cellulose and tannic acid

Tue, 28 Mar 2023 00:00:00 +0000

External field induced defect transformation in circular confined Gay–Berne liquid crystals

Tue, 14 Mar 2023 00:00:00 +0000

Unexpected Solvent Effect Leading to Interface Segregation of Single-Chain Nanoparticles in All-Polymer Nanocomposite Films upon Solvent Evaporation

Tue, 14 Mar 2023 00:00:00 +0000

NIR-II fluorescence lymphatic imaging and intraoperative navigation based on the “isolated cage” monodisperse strategy

Wed, 22 Feb 2023 00:00:00 +0000

Non-equilibrium Nanoassemblies Constructed by Confined Coordination on a Polymer Chain

Wed, 14 Dec 2022 00:00:00 +0000

Supramolecular Anchoring of Polyoxometalate Amphiphiles into Nafion Nanophases for Enhanced Proton Conduction

Tue, 22 Nov 2022 00:00:00 +0000

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Mon, 24 Oct 2022 00:00:00 +0000

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Mon, 24 Oct 2022 00:00:00 +0000

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Mon, 24 Oct 2022 00:00:00 +0000

Mechanism for Topology Selection of Isomeric Two-Dimensional Covalent Organic Frameworks

Thu, 04 Aug 2022 00:00:00 +0000

Mechanically Robust Skin-like Poly(urethane-urea) Elastomers Cross-Linked with Hydrogen-Bond Arrays and Their Application as High-Performance Ultrastretchable Conductors

Tue, 12 Jul 2022 00:00:00 +0000

Interactions on Proteins Arising from the Self-Assembly of a Polyelectrolyte Brush

Tue, 28 Jun 2022 00:00:00 +0000

Coarse-grained Dynamics Simulation in Polymer Systems:from Structures to Material Properties

Wed, 01 Jun 2022 00:00:00 +0000

Poly(Anthraquinonyl Sulfide)/CNT Composites as High-Rate-Performance Cathodes for Nonaqueous Rechargeable Calcium-Ion Batteries

Mon, 16 May 2022 00:00:00 +0000

Visualization of Macrophase Separation and Transformation in Immiscible Polymer Blends

Tue, 10 May 2022 00:00:00 +0000

A chiral smectic phase induced by an alternating external field

Wed, 30 Mar 2022 00:00:00 +0000

Colloidal cubic diamond photonic crystals through cooperative self-assembly

Wed, 30 Mar 2022 00:00:00 +0000

The advantages of nanoparticle surfactants over Janus nanoparticles on structuring liquids

Mon, 07 Mar 2022 00:00:00 +0000

Self-Assembly Behaviors of Giant Amphiphiles Containing Cubic Cage-like “Monomers”

Tue, 28 Sep 2021 00:00:00 +0000

Intercluster Exchange-Stabilized Novel Complex Colloidal χ _c Phase

Thu, 16 Sep 2021 00:00:00 +0000

Softness-Enhanced Self-Assembly of Pyrochlore- and Perovskite-like Colloidal Photonic Crystals from Triblock Janus Particles

Thu, 05 Aug 2021 00:00:00 +0000

Healable and Recyclable Elastomers with Record-High Mechanical Robustness, Unprecedented Crack Tolerance, and Superhigh Elastic Restorability

Thu, 08 Jul 2021 00:00:00 +0000

Probing Intermittent Motion of Polymer Chains in Weakly Attractive Nanocomposites

Sat, 28 Nov 2020 00:00:00 +0000

Mechanisms of Defect Correction by Reversible Chemistries in Covalent Organic Frameworks

Thu, 19 Nov 2020 00:00:00 +0000

A controlling parameter of topological defects in two-dimensional covalent organic frameworks

Thu, 12 Nov 2020 00:00:00 +0000

Self-Assembly of Single-Polymer-Tethered Nanoparticle Amphiphiles upon Varying Tail Length

Fri, 23 Oct 2020 00:00:00 +0000

The ENUF method—Ewald summation based on nonuniform fast Fourier transform:Implementation, parallelization, and application

Thu, 15 Oct 2020 00:00:00 +0000

Cellulose-Based Superhydrophobic Surface Decorated with Functional Groups Showing Distinct Wetting Abilities to Manipulate Water Harvesting

Wed, 09 Sep 2020 00:00:00 +0000

Brownian Diffusion of Individual Janus Nanoparticles at Water/Oil Interfaces

Tue, 25 Aug 2020 00:00:00 +0000

Inverse Design of Molecular Weight Distribution in Controlled Polymerization via a One-Pot Reaction Strategy

Tue, 11 Aug 2020 00:00:00 +0000

Anion Substitution in Porous Aromatic Frameworks:Boosting Molecular Permeability and Selectivity for Membrane Acetylene Separation

Wed, 29 Jul 2020 00:00:00 +0000

The coarse-grained models of poly(ethylene oxide) and poly(propylene oxide) homopolymers and poloxamers in big multipole water (BMW) and MARTINI frameworks

Fri, 24 Jul 2020 00:00:00 +0000

Remalleable, Healable, and Highly Sustainable Supramolecular Polymeric Materials Combining Superhigh Strength and Ultrahigh Toughness

Wed, 08 Jul 2020 00:00:00 +0000

Influence of lamellar thickness on the transformation of isotactic polybutylene-1/carbon nanotube nanocomposites

Mon, 04 May 2020 00:00:00 +0000

Unveiling the Role of Hydroxyl Architecture on Polysulfide Trapping for High-Performance Lithium–Sulfur Batteries

Mon, 27 Apr 2020 00:00:00 +0000

Kinetics-controlled design principles for two-dimensional open lattices using atom-mimicking patchy particles

Thu, 20 Feb 2020 00:00:00 +0000

Building Block Design for Minimizing Defects in the Construction of Two-Dimensional Covalent Organic Frameworks

Thu, 02 Jan 2020 00:00:00 +0000

Synergic Catalysts of Polyoxometalate@Cationic Porous Aromatic Frameworks:Reciprocal Modulation of Both Capture and Conversion Materials

Fri, 04 Oct 2019 00:00:00 +0000

Enthalpy-driven self-assembly of amphiphilic Janus dendrimers into onion-like vesicles:a Janus particle model

Thu, 26 Sep 2019 00:00:00 +0000

长径比对椭球粒子液晶行为的影响

Mon, 10 Jun 2019 00:00:00 +0000

Effect of the Self-Assembled Structures of Hydrated Polyzwitterionic and Polyanionic Brushes on Their Self-Cleaning Capabilities

Tue, 21 May 2019 00:00:00 +0000

Heterogeneous dynamics of unentangled chains in polymer nanocomposites

Tue, 14 May 2019 00:00:00 +0000

Coupling and decoupling between translational and rotational dynamics in supercooled monodisperse soft Janus particles

Wed, 17 Apr 2019 00:00:00 +0000

软三嵌段两面神胶体粒子自组装行为的模拟研究

Mon, 08 Apr 2019 00:00:00 +0000

Autonomous helical propagation of active toroids with mechanical action

Wed, 06 Mar 2019 00:00:00 +0000

软胶体粒子形成束晶的动力学模拟

Thu, 10 Jan 2019 00:00:00 +0000

Understanding the desulphurization process in an ionic porous aromatic framework

Wed, 02 Jan 2019 00:00:00 +0000

A Crystalline Polyimide Porous Organic Framework for Selective Adsorption of Acetylene over Ethylene

Wed, 21 Nov 2018 00:00:00 +0000

Construction of Porous Aromatic Frameworks with Exceptional Porosity via Building Unit Engineering

Thu, 25 Oct 2018 00:00:00 +0000

Improving Performance of All-Polymer Solar Cells Through Backbone Engineering of Both Donors and Acceptors

Thu, 27 Sep 2018 00:00:00 +0000

General patchy ellipsoidal particle model for the aggregation behaviors of shape- and/or surface-anisotropic building blocks

Wed, 26 Sep 2018 00:00:00 +0000

表面图案诱导两嵌段共聚物形成穿孔层状结构的模拟

Sat, 22 Sep 2018 00:00:00 +0000

Hybrid Particle-Field Molecular Dynamics Simulations of Charged Amphiphiles in an Aqueous Environment

Mon, 23 Jul 2018 00:00:00 +0000

Electrostatic interactions in soft particle systems:mesoscale simulations of ionic liquids

Wed, 30 May 2018 00:00:00 +0000

Employing multi-GPU power for molecular dynamics simulation:an extension of GALAMOST

Wed, 18 Apr 2018 00:00:00 +0000

Associating behavior of one polyimide with high molecular weight in solution through a relatively weak interaction

Wed, 11 Apr 2018 00:00:00 +0000

Kinetic step-growth polymerization:A dissipative particle dynamics simulation study

Sun, 14 Jan 2018 00:00:00 +0000

超支化分子自组装形成纳米纤维的计算机模拟研究

Mon, 20 Feb 2017 00:00:00 +0000

Enhancement of surface nonwettability by grafting loops

Wed, 08 Feb 2017 00:00:00 +0000

Chiral Assemblies from an Achiral Pyridinium-Tailored Anthracene

Thu, 26 Jan 2017 00:00:00 +0000

Molecular dynamics simulation of antipolyelectrolyte effect and solubility of polyzwitterions

Sat, 07 Jan 2017 00:00:00 +0000

Probing heterogeneous dynamics from spatial density correlation in glass-forming liquids

Thu, 01 Dec 2016 00:00:00 +0000

Supracolloidal fullerene-like cages:design principles and formation mechanisms

Wed, 30 Nov 2016 00:00:00 +0000

A kinetic chain growth algorithm in coarse-grained simulations

Tue, 15 Nov 2016 00:00:00 +0000

Understanding the wettability of a hairy surface:effect of hair rigidity and topology

Wed, 13 Jul 2016 00:00:00 +0000

线形、梳形和星形高分子静态和动态性质的模拟

Fri, 10 Jun 2016 00:00:00 +0000

Hybrid particle–field molecular dynamics simulation for polyelectrolyte systems

Wed, 30 Mar 2016 00:00:00 +0000

GPU-Accelerated Molecular Dynamics Simulation to Study Liquid Crystal Phase Transition Using Coarse-Grained Gay-Berne Anisotropic Potential

Thu, 17 Mar 2016 00:00:00 +0000

Three-dimensional inverse design of nanopatterns with block copolymers and homopolymers

Thu, 25 Feb 2016 00:00:00 +0000

The mechanism of the emergence of distinct overstretched DNA states

Thu, 14 Jan 2016 00:00:00 +0000

A versatile model for soft patchy particles with various patch arrangements

Wed, 06 Jan 2016 00:00:00 +0000

Development of phenylboronic acid-functionalized nanoparticles for emodin delivery

Wed, 29 Apr 2015 00:00:00 +0000

Structure and Dynamics Properties at Interphase Region in the Composite of Polystyrene and Cross-Linked Polystyrene Soft Nanoparticle

Tue, 28 Apr 2015 00:00:00 +0000

Decoupling of relaxation and diffusion in random pinning glass-forming liquids

Sat, 28 Mar 2015 00:00:00 +0000

Tuning surface wettability by designing hairy structures

Tue, 03 Feb 2015 00:00:00 +0000

Self-assembly of two-patch particles in solution:a Brownian dynamics simulation study

Sat, 03 May 2014 00:00:00 +0000

Synthesize Multiblock Copolymers via Complex Formations between β-Cyclodextrin and Adamantane Groups Terminated at Diblock Copolymer Ends:A Brownian Dynamics Simulation Study

Thu, 19 Dec 2013 00:00:00 +0000

GALAMOST:GPU-accelerated large-scale molecular simulation toolkit

Mon, 30 Sep 2013 00:00:00 +0000

Polymer-grafted nanoparticles prepared by surface-initiated polymerization:the characterization of polymer chain conformation, grafting density and polydispersity correlated to the grafting surface curvature

Wed, 28 Aug 2013 00:00:00 +0000

杂臂星型嵌段共聚物在溶液中自组装形成囊泡结构的计算机模拟

Wed, 10 Jul 2013 00:00:00 +0000

两亲性接枝共聚物在选择性溶剂中自组装行为的模拟研究

Wed, 10 Apr 2013 00:00:00 +0000

Note:Different micellization behavior of miktoarm star-like and diblock copolymers

Fri, 28 Dec 2012 00:00:00 +0000

A simulation model for soft triblock Janus particles and their ordered packing

Tue, 11 Dec 2012 00:00:00 +0000

Influence of Grafting Surface Curvature on Chain Polydispersity and Molecular Weight in Concave Surface-Initiated Polymerization

Tue, 20 Nov 2012 00:00:00 +0000

A highly coarse-grained model to simulate entangled polymer melts

Sat, 14 Apr 2012 00:00:00 +0000

Brownian dynamics simulation study on the self-assembly of incompatible star-like block copolymers in dilute solution

Wed, 14 Mar 2012 00:00:00 +0000

Phase diagram of spherical particles interacted with harmonic repulsions

Fri, 28 Jan 2011 00:00:00 +0000

Mon, 01 Jan 0001 00:00:00 +0000

朱有亮课题组

Gaussian curvature engineering of self-pressurizing mesoporous nanoreactors boosts dynamic equilibrium of molecule adsorption-desorption

Modeling for nanoparticle-stabilized, robust small-domain bicontinuous emulsions

Molecular competition induced Janus hydrogel bioelectronic interface for electroceutical modulation

软件平台

Polymerisation‐Induced Self‐Assembly on Planar Surfaces:A New Approach for Controlling Surface Topography and Modulating Material‐Bio Interactions

吉林大学化学学院介观尺度分子模拟软件平台建设取得最新进展

Insight into the Regulatory Role of Defect Evolution on the Growth of Single-Crystalline Covalent Organic Frameworks

Hierarchical chiral supramolecular assemblies with strong and invertible chiroptical properties

祝贺于向坤、于卓辰顺利通过毕业答辩取得博士学位，李子怡、郭盛宏顺利通过毕业答辩取得硕士学位并在组内继续修读博士学位。

Polymerization-Induced Self-Assembly for Modulating Assembly Pathways and Microstructures of Amphiphilic Gradient Copolymer Nanoparticles

Nanocluster-Based Liquid Crystal Electrolytes for Deformation-Responsive Proton Conductors

IPAMD:A Plugin-Based Software for Biomolecular Condensate Simulations

PyGAMD:Python graphics processing unit-accelerated molecular dynamics software

A skin-mimicking multifunctional hydrogel via hierarchical, reversible noncovalent interactions

Paddle-like self-stirring nanoreactors with multi-chambered mesoporous branches for enhanced dual-dynamic cascade reactions

Controlled release mechanism of drugs from onion-like dendrimersomes:insight from dissipative particle dynamics simulations

Controlling crystallization in covalent organic frameworks to facilitate photocatalytic hydrogen production | Nature Communications

恭喜朱有亮老师受邀任PS&T和MGE Advances青年编委

Nonconventional Full-Color Luminescent Polyurethanes:Luminescence Mechanism at the Molecular Orbital Level

第八届材料基因工程高层论坛

中国化学会2024年软物质理论计算与模拟学术会议

Folding behaviors of two-dimensional flexible polymers

One-pot preparation of nonconventional luminescent polymer gels driven by polymerization

Charge Transfer Mechanisms of Adaptive Multicomponent Solutions at Solid–Liquid Interfaces for Real-Time Coolant State Monitoring

Kinetics of On-Surface Oligomer Formation Controlled by Concentration

Ultrasmall Single‐Chain Nanoparticles Derived from Amphiphilic Alternating Copolymers

Synergistic Cation‐π Interactions and PEDOT‐Based Protective Double‐Layer for High Performance Zinc Anode

Exploring the interplay of liquid crystal orientation and spherical elastic shell deformation in spatial confinement

Amphiphilic Polyurethane with Cluster-Induced Emission for Multichannel Bioimaging in Living Cell Systems

Small Things Make a Big Difference:Conductive Cross-Linking Sodium Alginate@MXene Binder Enables High-Volumetric-Capacity and High-Mass-Loading Li–S Battery

Synthesis of branched silica nanotrees using a nanodroplet sequential fusion strategy

2023年吉林大学“聚合物分子动力学软件培训班”在长春举行

Recastable assemblies of carbon dots into mechanically robust macroscopic materials

Dual Nanofillers-Reinforced Noncovalently Cross-Linked Polymeric Composites with Unprecedented Mechanical Strength

Helical structures of achiral liquid crystals under cylindrical confinement

The design of highly conductive and stretchable polymer conductors with low-load nanoparticles

Covalent Organic Framework with Multiple Redox Active Sites for High-Performance Aqueous Calcium Ion Batteries

In Situ Grown Silver–Polymer Framework with Coordination Complexes for Functional Artificial Tissues

Automatic Multiscale Method of Building up a Cross-linked Polymer Reaction System:Bridging SMILES to the Multiscale Molecular Dynamics Simulation

Bacterial lipids drive compartmentalization on the nanoscale

Defect transition of smectic liquid crystals confined in spherical cavities

Ionic-Nanophase Hybridization of Nafion by Supramolecular Patching for Enhanced Proton Selectivity in Redox Flow Batteries

Biomimetic spinning of soft functional fibres via spontaneous phase separation

Highly tough, degradable, and water-resistant bio-based supramolecular plastics comprised of cellulose and tannic acid

External field induced defect transformation in circular confined Gay–Berne liquid crystals

Unexpected Solvent Effect Leading to Interface Segregation of Single-Chain Nanoparticles in All-Polymer Nanocomposite Films upon Solvent Evaporation

NIR-II fluorescence lymphatic imaging and intraoperative navigation based on the “isolated cage” monodisperse strategy

Non-equilibrium Nanoassemblies Constructed by Confined Coordination on a Polymer Chain

Supramolecular Anchoring of Polyoxometalate Amphiphiles into Nafion Nanophases for Enhanced Proton Conduction

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Mechanism for Topology Selection of Isomeric Two-Dimensional Covalent Organic Frameworks

Mechanically Robust Skin-like Poly(urethane-urea) Elastomers Cross-Linked with Hydrogen-Bond Arrays and Their Application as High-Performance Ultrastretchable Conductors

Interactions on Proteins Arising from the Self-Assembly of a Polyelectrolyte Brush

Coarse-grained Dynamics Simulation in Polymer Systems:from Structures to Material Properties

Poly(Anthraquinonyl Sulfide)/CNT Composites as High-Rate-Performance Cathodes for Nonaqueous Rechargeable Calcium-Ion Batteries

Visualization of Macrophase Separation and Transformation in Immiscible Polymer Blends

A chiral smectic phase induced by an alternating external field

Colloidal cubic diamond photonic crystals through cooperative self-assembly

The advantages of nanoparticle surfactants over Janus nanoparticles on structuring liquids

Self-Assembly Behaviors of Giant Amphiphiles Containing Cubic Cage-like “Monomers”

Intercluster Exchange-Stabilized Novel Complex Colloidal χ c Phase

Softness-Enhanced Self-Assembly of Pyrochlore- and Perovskite-like Colloidal Photonic Crystals from Triblock Janus Particles

Healable and Recyclable Elastomers with Record-High Mechanical Robustness, Unprecedented Crack Tolerance, and Superhigh Elastic Restorability

Probing Intermittent Motion of Polymer Chains in Weakly Attractive Nanocomposites

Mechanisms of Defect Correction by Reversible Chemistries in Covalent Organic Frameworks

A controlling parameter of topological defects in two-dimensional covalent organic frameworks

Self-Assembly of Single-Polymer-Tethered Nanoparticle Amphiphiles upon Varying Tail Length

The ENUF method—Ewald summation based on nonuniform fast Fourier transform:Implementation, parallelization, and application

Cellulose-Based Superhydrophobic Surface Decorated with Functional Groups Showing Distinct Wetting Abilities to Manipulate Water Harvesting

Brownian Diffusion of Individual Janus Nanoparticles at Water/Oil Interfaces

Inverse Design of Molecular Weight Distribution in Controlled Polymerization via a One-Pot Reaction Strategy

Anion Substitution in Porous Aromatic Frameworks:Boosting Molecular Permeability and Selectivity for Membrane Acetylene Separation

The coarse-grained models of poly(ethylene oxide) and poly(propylene oxide) homopolymers and poloxamers in big multipole water (BMW) and MARTINI frameworks

Remalleable, Healable, and Highly Sustainable Supramolecular Polymeric Materials Combining Superhigh Strength and Ultrahigh Toughness

Influence of lamellar thickness on the transformation of isotactic polybutylene-1/carbon nanotube nanocomposites

Unveiling the Role of Hydroxyl Architecture on Polysulfide Trapping for High-Performance Lithium–Sulfur Batteries

Kinetics-controlled design principles for two-dimensional open lattices using atom-mimicking patchy particles

Intercluster Exchange-Stabilized Novel Complex Colloidal χ _c Phase