報(bào)告承辦單位:數(shù)學(xué)與統(tǒng)計(jì)學(xué)院

報(bào)告內(nèi)容: Continuum modeling of molecular solvation and ion transport in channels

報(bào)告人姓名: 盧本卓

報(bào)告人所在單位: 中國科學(xué)院數(shù)學(xué)與系統(tǒng)科學(xué)研究院

報(bào)告人職稱/職務(wù)及學(xué)術(shù)頭銜:教授/博導(dǎo)

報(bào)告時(shí)間: 2019年5月7日下午16:00—17:00

報(bào)告地點(diǎn): 理科樓A419

報(bào)告人簡介: 盧本卓教授，博導(dǎo)，2002年獲中國科技大學(xué)博士學(xué)位，2003-2008年先后在美國加州大學(xué)圣地亞哥分校及霍華德休斯醫(yī)學(xué)研究所進(jìn)行訪問研究，現(xiàn)為中科院計(jì)算數(shù)學(xué)與科學(xué)工程研究所研究員，中國科學(xué)院“百人計(jì)劃”入選者。盧教授擔(dān)任Commun. Comput. Phys，Comput. Math. Biophysics，數(shù)值計(jì)算與計(jì)算機(jī)應(yīng)用等國際SCI雜志編委/顧問，中國仿真學(xué)會(huì)集成微系統(tǒng)建模與仿真專委會(huì)副主任委員。盧教授主要從事生物分子的模擬與計(jì)算，研究方向主要包括數(shù)值方法和應(yīng)用軟件開發(fā)，云計(jì)算，生物體系的分子動(dòng)力學(xué)模擬，分子表面網(wǎng)格／立體網(wǎng)格的產(chǎn)生等。主持完成國家自然科學(xué)重大研究計(jì)劃和面上項(xiàng)目多項(xiàng)，發(fā)表SCI論文近百篇，Google Scholar總引用次數(shù)超過2000次。

報(bào)告摘要：Continuum models are commonly used to combine with molecular model in order to bridge different scales and to take into account the average influence of solvent environment on molecular processes. I’ll talk about our recent advances in developing continuum models, numerical algorithms and software for simulating variety of phenomena involving electrostatics and diffusion processes at molecular and nano-scales. Macromolecular electrostatics and ion transport in ion channel/nanopores are our focused interests. The governing equations of these phenomena are the Poisson-Boltzmann/Poisson-Nernst-Planck equations and their improved forms. We have developed a set of computational methods and software tool chain in this field, including finite element/boundary element simulation packages, molecular meshing tools, visualization software and web-based service (under way). Case studies are applied to calculate such as macromolecular electrostatics, current-voltage curve of ion channels (physiological property) and nanopores (potentially used in gen sequencing, electric nano-devices et al.).