BEGIN:VCALENDAR METHOD:REQUEST PRODID:Microsoft Exchange Server 2010 VERSION:2.0 BEGIN:VTIMEZONE TZID:Eastern Standard Time BEGIN:STANDARD DTSTART:16010101T020000 TZOFFSETFROM:-0400 TZOFFSETTO:-0500 RRULE:FREQ=YEARLY;INTERVAL=1;BYDAY=1SU;BYMONTH=11 END:STANDARD BEGIN:DAYLIGHT DTSTART:16010101T020000 TZOFFSETFROM:-0500 TZOFFSETTO:-0400 RRULE:FREQ=YEARLY;INTERVAL=1;BYDAY=2SU;BYMONTH=3 END:DAYLIGHT END:VTIMEZONE BEGIN:VEVENT ORGANIZER;CN="Turner, Jaime J";SENT-BY="mailto:blackn@purdue.edu":mailto:jjbigg s@purdue.edu ATTENDEE;ROLE=REQ-PARTICIPANT;PARTSTAT=NEEDS-ACTION;RSVP=TRUE;CN='Bnc-facul ty-all-list@ecn.purdue.edu':mailto:Bnc-faculty-all-list@ecn.purdue.edu ATTENDEE;ROLE=REQ-PARTICIPANT;PARTSTAT=NEEDS-ACTION;RSVP=TRUE;CN=Bnc-grads- list@ecn.purdue.edu:mailto:Bnc-grads-list@ecn.purdue.edu ATTENDEE;ROLE=REQ-PARTICIPANT;PARTSTAT=NEEDS-ACTION;RSVP=TRUE;CN=BNC-Staff: mailto:BNC-Staff@groups.purdue.edu ATTENDEE;ROLE=REQ-PARTICIPANT;PARTSTAT=NEEDS-ACTION;RSVP=TRUE;CN=Joe Cychos z:mailto:3ksnn64@ecn.purdue.edu ATTENDEE;ROLE=REQ-PARTICIPANT;PARTSTAT=NEEDS-ACTION;RSVP=TRUE;CN="Chen, Zhih ong":mailto:zhchen@purdue.edu ATTENDEE;ROLE=REQ-PARTICIPANT;PARTSTAT=NEEDS-ACTION;RSVP=TRUE;CN="Shakouri, Ali":mailto:shakouri@purdue.edu ATTENDEE;ROLE=REQ-PARTICIPANT;PARTSTAT=NEEDS-ACTION;RSVP=TRUE;CN="Bhave, Sun il A":mailto:bhave@purdue.edu ATTENDEE;ROLE=REQ-PARTICIPANT;PARTSTAT=NEEDS-ACTION;RSVP=TRUE;CN="Black, Nan cy Lee":mailto:blackn@purdue.edu ATTENDEE;ROLE=REQ-PARTICIPANT;PARTSTAT=NEEDS-ACTION;RSVP=TRUE;CN="Mannodi Ka nakkithodi, Arun Kumar":mailto:amannodi@purdue.edu ATTACH:CID:image001.jpg@01D7B3A3.883980B0 ATTACH:CID:image002.jpg@01D7B3A3.883980B0 ATTACH:CID:image003.jpg@01D7B3A3.884F0480 ATTACH:CID:image002.jpg@01D7B3A3.8852FC20 DESCRIPTION;LANGUAGE=en-US:\n\nNancy Black is inviting you to a scheduled Z oom meeting.\n\n\n\nJoin Zoom Meeting\n\nhttps://purdue-edu.zoom.us/j/9869 5180597\n\n\n\nMeeting ID: 986 9518 0597\n\nOne tap mobile\n\n+16465588656 \,\,98695180597# US (New York) 13017158592\,\,98695180597# US\n\n+(Washing ton DC)\n\n\n\nDial by your location\n\n +1 646 558 8656 US (New Yo rk)\n\n +1 301 715 8592 US (Washington DC)\n\n +1 312 626 67 99 US (Chicago)\n\n +1 669 900 6833 US (San Jose)\n\n +1 253 215 8782 US (Tacoma)\n\n +1 346 248 7799 US (Houston)\n\nMeeting I D: 986 9518 0597\n\nFind your local number: https://purdue-edu.zoom.us/u/a btkh4zmcl\nArun Kumar Mannodi Kanakkithodi\nAssistant Professor\, School o f Materials Engineering\, Purdue University\nSeptember 30th\, 2021 | 12:00 pm\nJoin Zoom: https://purdue-edu.zoom.us/j/98695180597\n\n\n[Arun Kumar M annodi Kanakkithodi]Title: Tuning Optoelectronic Properties of Semiconduct ors using High-Throughput Computations and Machine Learning\n\n\nAbstract: Semiconductors with desirable electronic band structure and optical absor ption are sought for solar cells\, electronic devices\, infrared sensors\, and quantum computing. Compositional manipulation via alloying at cation or anion sites\, or via incorporation of point defects and impurities\, ca n help tune the properties of semiconductors in known chemical spaces. In this work\, we develop AI-based frameworks for the on-demand prediction of the phase stability\, band gap\, optical absorption spectra\, photovoltai c figures of merit\, defect formation energies\, and impurity energy level s in two broad classes of semiconductors\, namely (a) halide perovskites w ith the general formula ABX3 (where A is a large organic or inorganic mono valent cation\, B is a divalent cation and X is a halogen anion)\, and (b) group IV\, III-V and II-VI semiconductors in the zinc blende structure. T hese frameworks are powered by high-throughput density functional theory ( DFT) computations\, unique encoding of the atom-composition-structure info rmation\, and rigorous training of advanced neural network-based predictiv e and optimization models. Multi-fidelity learning is applied to bridge th e gap between (high quantities of) low accuracy calculations and (lower qu antities of) high-fidelity data\, constituted of data from advanced DFT fu nctionals. AI-based recommendations are synergistically coupled with targe ted synthesis and characterization\, leading to successful validation and discovery of novel compositions for improved performance in solar cells.\n \n\nBio: Arun Mannodi Kanakkithodi is an assistant professor in Materials Engineering at Purdue university. He received his PhD in Materials Scienc e and Engineering from the University of Connecticut in 2017 and worked as a postdoctoral researcher at the Center for Nanoscale Materials in Argonn e National Laboratory from 2017 to 2020. His research involves using first principles computational modeling\, machine learning\, and materials info rmatics to drive the design of new materials for energy-relevant applicati ons. He is a contributor to the NSF-funded nanoHUB.org and a co-organizer of the hands-on data science and machine learning workshop series: https:/ /nanohub.org/groups/ml/handsontraining.\n\nPreviously recorded talks: http s://engineering.purdue.edu/Intranet/Groups/BNC/FacultySeminars\n\nUpcoming BNC Virtual Faculty Seminars and Recorded Talks\, Fall 2021:\n\nDate\nFac ulty\nTitle\n10/7/21\nMichelle Thompson\, Assistant Professor\, Department of Earth\, Atmospheric\, and Planetary Sciences\nFrom Atomic Scales to As teroid Surfaces: Understanding Airless Bodies through Coordinated Analyses \n10/14/21\nXiaoping Bao\, Assistant Professor\, Davidson School of Chemic al Engineering\nEngineer and Manufacture Off-the-Shelf CAR-NK Cells for Ta rgeted Cancer Immunotherapy\n10/21/21\n10/28/21\nAndres Arrieta\, Assistan t Professor\, School of Mechanical Engineering\n\n11/4/21\nTian Li\, Assis tant Professor of Mechanical Engineering\nNaturally Nanostructured Cellulo se towards Energy Water Nexus\n11/11/21\nCaitlin Proctor\, Assistant Profe ssor of Agricultural and Biological Engineering & Environmental and Ecolog ical Engineering\nBiofilms in Everyday Life\n11/18/21\n\n\n\n\n\n\n\n UID:ZOOM98695180597 RECURRENCE-ID;TZID=Eastern Standard Time:20210930T120000 SUMMARY;LANGUAGE=en-US:FW: BNC Faculty Seminar Series: Arun Kumar Mannodi K anakkithodi\, Assistant Professor\, School of Materials Engineering DTSTART;TZID=Eastern Standard Time:20210930T120000 DTEND;TZID=Eastern Standard Time:20210930T130000 CLASS:PUBLIC PRIORITY:5 DTSTAMP:20210903T141226Z TRANSP:OPAQUE STATUS:CONFIRMED SEQUENCE:3 LOCATION;LANGUAGE=en-US:https://purdue-edu.zoom.us/j/98695180597 X-MICROSOFT-CDO-APPT-SEQUENCE:3 X-MICROSOFT-CDO-OWNERAPPTID:1459853285 X-MICROSOFT-CDO-BUSYSTATUS:TENTATIVE X-MICROSOFT-CDO-INTENDEDSTATUS:BUSY X-MICROSOFT-CDO-ALLDAYEVENT:FALSE X-MICROSOFT-CDO-IMPORTANCE:1 X-MICROSOFT-CDO-INSTTYPE:3 X-MICROSOFT-DONOTFORWARDMEETING:FALSE X-MICROSOFT-DISALLOW-COUNTER:FALSE X-MICROSOFT-LOCATIONS:[{"DisplayName":"https://purdue-edu.zoom.us/j/9869518 0597"\,"LocationAnnotation":""\,"LocationUri":""\,"LocationStreet":""\,"Lo cationCity":""\,"LocationState":""\,"LocationCountry":""\,"LocationPostalC ode":""\,"LocationFullAddress":""}] BEGIN:VALARM DESCRIPTION:REMINDER TRIGGER;RELATED=START:-PT10M ACTION:DISPLAY END:VALARM END:VEVENT END:VCALENDAR