报告题目：Accelerating Materials Discovery and ProcessOptimizationviaHigh-PerformanceComputing

报告人：Prof. Gyeong S. Hwang, PhD

主持人（邀请人）：蒋青

报告时间：8月25日下午15:00-16:30

报告地点：机械材料馆209学术报告厅

摘要：

Thediscovery and design of new materials has long played a key role in enablingtechnologicaladvances across a wide range of industries. Especially forlow-cost clean energy technologies tobe economically competitive with fossilfuels, we need to develop new energy conversion andstorage materials that arecheaper, more efficient, more abundant, and safer than those currentlyused. Weshould also make the materials discovery, development, and deployment faster,lessexpensive, and more predictable. Over recent years, a variety of compositenanomaterials havebeen synthesized and tested for next-generation energystorage and conversion devices.However, in many cases, little is known abouttheir properties and performance, despite thecriticality of such a fundamentalunderstanding for the accelerated development of new energymaterials.Experiments may provide many clues to the behavior of those materials, buttheinterpretations are often controversial due largely to the difficulty ofdirect characterization.Under such circumstances, first-principles-basedcomputational approaches have emerged aspowerful alternatives to the design andunderstanding of new materials and complex processes.Aftera brief introduction to the current status and challenges in first-principlesmodeling ofcomplex materials and processes, this talk will focus on introducingour ongoing studies asexample cases. Firstly, we will discuss design strategiesto improve the performance ofnanostructured carbon-based electrochemical doublelayer capacitors. Secondly, we will presentrecent progress in our collaborativetheoretical and experimental efforts to explore metal oxidephotocatalysts withthe requisite band gaps, stability, costs, and abundance forsolar-poweredhydrogen production.

报告人简介：

Dr. Hwang isthe Matthew Van Winkle Regents Professor of Chemical Engineering attheUniversity of Texas at Austin (UT-Austin). He received his BS (1991) and MS(1993) fromSeoul National University, Korea, and his PhD (1999, with MS inApplied Physics) fromCalifornia Institute of Technology (Caltech), all inChemical Engineering. He also carried outpost-doctoral research at the MaxPlanck Institute for Solid State Research (1999) and Caltech(2000-2001). Sincejoining UT-Austin as an Assistant Professor in 2001, Dr. Hwang has rapidlydevelopedhis research program in computational materials and chemical science.Hisoutstanding records of research, teaching, and service have led to his earlypromotion toAssociate Professor with tenure and Full Professor. He has beeninvolved in many top-notchresearch projects concerning plasma-assisted etchingand deposition as well as nanomaterials andmolecular systems for energy,electronics and environment. Dr. Hwang has published about 200articles inhigh-impact journals, such as Nature Materials, PRL, JACS and PNAS. He hasgivenabout 150 presentations as an invited speaker, including plenary andkeynote addresses atinternational conferences. His professional career has beenrecognized with multiple prestigiousawards and honors, including KSEA Engineerof the Year Award, NSF CAREER Award, andECS F.M. Becket Memorial Award.

主办单位：汽车材料教育部重点实验室，尊龙凯时材料科学与工程学院