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Open nowPosted 34 days ago

有机材料计算工程师

icnl2wnnd6kf/kairosmaterialsjob10 open roles

Where
Beijing, Chinese Mainland
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Your applicationOpen now有机材料计算工程师icnl2wnnd6kf/kairosmaterialsjob · Beijing, Chinese Mainland

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12.3% of postings close within 7 days. Measured by our own scanner across the market.

Share of postings closed within
  1. 2.1%1 day
  2. 4.5%3 days
  3. 12.3%7 days
  4. 19.3%14 days
  5. 35.6%30 days
  6. 58.1%60 days
This job: posted 34 days ago

The posting

1.面向有机分子及高分子材料研发需求，开展计算模拟与理论研究，支持材料设计、性能预测及候选材料筛选。 2.运用量子化学、密度泛函理论（DFT）等方法，研究分子结构、电子性质、反应路径及分子间相互作用，分析材料性能与微观结构的关系。 3.根据项目需要，开展分子动力学模拟，研究材料的聚集态结构、热力学性质、动力学行为及界面作用。 4.搭建自动化计算与数据处理流程，开展批量建模、高通量计算、结果分析及计算数据集建设。 5.与算法团队协作，提供物理化学机理、分子表征及高质量计算数据，支持材料预测模型的训练与验证。 6.与实验团队协作，结合实验结果校准计算方法，提出材料结构、配方或工艺优化建议，推动计算成果应用于实际研发。 7.跟踪有机材料计算领域的研究进展，评估并引入适用的计算方法与工具。

1.化学、材料科学、高分子科学、物理等相关专业，硕士及以上学历，具备有机材料相关计算研究经验。 2.具备扎实的物理化学、量子化学或统计力学基础，理解有机分子及高分子材料的结构与性能关系。 3.熟练掌握量子化学 / DFT 或分子动力学中的至少一类方法，能够独立完成建模、参数选择、计算执行及结果分析。 4.熟练使用 Gaussian、ORCA、Q-Chem、CP2K、GROMACS、LAMMPS 等一种或多种计算软件。 5.熟悉 Linux 计算环境及高性能计算集群，能够使用 Python 或 Shell 编写自动化计算和数据分析脚本。 6.能够结合研究目标选择合理的计算方案，判断计算结果的可靠性，并清晰解释其物理化学意义与适用边界。 7.具备良好的文献阅读、问题分析及跨团队沟通能力，能够主动推进项目并交付可验证的成果。

加分项 1.有高分子、涂层、胶黏剂、有机光电材料等相关领域的计算研究或产业项目经验。 2.有聚合物建模、力场开发、粗粒化模拟、自由能计算或多尺度模拟经验。 3.有高通量计算平台、自动化工作流或材料数据库建设经验。 4.熟悉机器学习在材料研发中的应用，有计算模拟与 AI 模型结合的项目经验。 5.有计算与实验协同研发经验，能够通过计算结果指导材料筛选或性能优化。

我们提供：充足的算力资源与真实的材料研发场景；与算法、计算化学及实验团队深度协作的机会；无打卡、重结果、技术氛围浓厚的工作环境。

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