Materials Studio多尺度分子模拟平台是BIOVIA公司(美国)在材料设计领域的核心产品。它融合多种模拟方法,整合多达23 个功能模块,实现从电子结构解析到宏观性能预测的全尺度科学研究。在国内拥有近400家用户,分布在石油、化工、环境、能源、制药、电子、食品、航空航天和汽车等工业领域和教育科研部门;相关的研究工作在Nature、Science等各类权威期刊上发表论文过万篇。
Materials Studio分子模拟软件采用了先进的模拟计算思想和方法,如量子力学(QM)、线性标度量子力学(Linear Scaling QM)、分子力学(MM)、分子动力学(MD)、蒙特卡洛(MC)、介观动力学(MesoDyn)和耗散粒子动力学(DPD)、统计方法QSAR(Quantitative Structure – Activity Relationship )等多种先进算法和X射线衍射分析等仪器分析方法;同时产品提供了界面友好的的模拟环境,研究者能方便地建立三维结构模型,并对各种小分子、纳米团簇、晶体、非晶体以及高分子材料的性质及相关过程进行深入的研究,得到切实可靠的数据。
Materials Studio分子模拟软件支持Windows和Linux操作平台,用户可以自由定制、购买自己的模拟方法和模块,以满足特定领域研究需求。 Materials Studio软件使任何研究者都能得到和世界一流研究部门相一致的材料模拟技术。
BIOVIA(美国)公司是世界领先的计算科学公司,是一系列用于科学数据的挖掘、整合、分析、模建与模拟、管理和提交交互式报告的智能软件的开发者,是目前全球范围内唯一能够提供分子模拟、材料设计、化学信息学和生物信息学全面解决方案和相关服务的软件供应商,所提供的全面解决方案和科技服务满足了当今全球领先的研究和开发机构的要求。
Materials Studio软件的主要应用领域包括:
? 金属材料研究
? 无机非金属材料研究
? 纳米材料研究
? 高分子及其复合材料研究
? 表界面研究
? 化学反应研究
? 含能材料研究
? 生物、医药研究
? 在晶体结构、形貌研究中的应用
? QSAR 的应用
? Perl 语言的应用
Materials Studio is a complete modeling and simulation environment designed to allow researchers in materials science and chemistry to predict and understand the relationships of a material’s atomic and molecular structure with its properties and behavior. Using Materials Studio, researchers in many industries are engineering better performing materials of all types, including pharmaceuticals, catalysts, polymers and composites, metals and alloys, batteries and fuel cells, and more.
With Materials Studio you can:
Accelerate Innovation: Materials Studio enables materials scientists and research teams to develop new, better performing, and more cost effective materials faster and more efficiently than with test and experimentation alone.
Reduce Costs: Materials Studio customers have indicated a reduction of up to 10 times in the number of experiments required to introduce a new material.
Improve Efficiency: Automate repetitive or tedious modeling tasks by creating reusable modeling and simulation protocols.
Collaborate: Capture & share expert knowledge and methods to make computational science more consistent across organizational and geographic boundaries.
Solve Your Most Difficult Problems: BIOVIA’s staff of expert scientists assures timely support and expertise to help solve even the most challenging problems in materials science.
Materials Studio includes a graphical user environment—Materials Studio Visualizer— in which researchers can construct, manipulate and view models of molecules, crystalline materials, surfaces, polymers, and mesoscale structures. Materials Studio Visualizer is complemented by a complete set of solution methods including quantum, atomistic (or “classical”), mesoscale, and statistical that enable researchers to evaluate materials at various particle sizes and time scales. It also includes tools for evaluating crystal structure and crystal growth.
Platform: x86
Home Page – http://accelrys.com/products/materials-studio/
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