BEGIN:VCALENDAR VERSION:2.0 PRODID:IEEE vTools.Events//EN CALSCALE:GREGORIAN BEGIN:VTIMEZONE TZID:America/New_York BEGIN:DAYLIGHT DTSTART:20260308T030000 TZOFFSETFROM:-0500 TZOFFSETTO:-0400 RRULE:FREQ=YEARLY;BYDAY=2SU;BYMONTH=3 TZNAME:EDT END:DAYLIGHT BEGIN:STANDARD DTSTART:20261101T010000 TZOFFSETFROM:-0400 TZOFFSETTO:-0500 RRULE:FREQ=YEARLY;BYDAY=1SU;BYMONTH=11 TZNAME:EST END:STANDARD END:VTIMEZONE BEGIN:VEVENT DTSTAMP:20260313T131621Z UID:1346206B-2222-4A72-BEE5-6870EB918202 DTSTART;TZID=America/New_York:20260310T120000 DTEND;TZID=America/New_York:20260310T130000 DESCRIPTION:Abstract:\n\nMolecular electronics represents a promising frame work for computation\, memory\, and sensing\, where device behaviour is di rectly governed by molecular-scale physical phenomena. Accurate modelling of molecules is therefore essential to understand and predict their functi onal properties\, yet the theoretical and computational tools required for this task are rarely addressed in standard Electronics studies. This semi nar focuses on the modelling of molecules employed in electronics applicat ions\, discussing how molecular structure\, charge distribution\, and inte rmolecular interactions determine the electrostatic behaviour of molecular ensembles\, as addressed through the SCERPA tool. The talk spans physical descriptions of isolated molecules as well as effective models suitable f or circuit-level analysis. We discuss the accuracy of the proposed modelli ng approach in capturing specific physical effects\, such as the presence of multiple conformers and time-dependent variations\, and we validate the model against molecular ensembles simulated using Density Functional Theo ry (DFT)\, also demonstrating recent results in optimizing DFT calculation through SCERPA-mediated analysis. Field-Coupling Nanocomputing is present ed as a representative case study to illustrate how molecular models can b e progressively abstracted and integrated into the design of logic cells a nd circuits. Particular attention is devoted to the relationship between m olecular physics and logical functionality\, highlighting how molecular to pology and coupling mechanisms eventually influence information processing .\n\nCo-sponsored by: IEEE Nanotechnology Council\n\nSpeaker(s): Dr. Ardes i\n\nAgenda: \nTitle: Electrostatic Modelling of Molecules for Computing a t the Molecular Scale\n\nDate/Time: 10 March 2026\, 17:00 Rome/Central Eur opean Time (16:00 UK\, 12:00 New York\, 09:00 California\n\nSpeaker: Dr. Y uri Ardesi\, Assistant Professor at Politecnico di Torino\, Dept. of Elect ronics and Telecommunications\n\nZOOM LINK\nDate: ​10 March 2026\n\nTime : 17:00 Madrid/Central European Time (16:00 UK\, 12:00 New York\, 08:00 Ca lifornia)\n\nZoom link: https://zoom.us/j/96656865229?pwd=5vURevr4OIaxky7s afnlxDu6wWoTmG.1\nMeeting ID 966 5686 5229\nPasscode 468534\n\nVirtual: ht tps://events.vtools.ieee.org/m/545192 LOCATION:Virtual: https://events.vtools.ieee.org/m/545192 ORGANIZER:bettermann@ieee.org SEQUENCE:44 SUMMARY:Electrostatic Modelling of Molecules for Computing at the Molecular Scale URL;VALUE=URI:https://events.vtools.ieee.org/m/545192 X-ALT-DESC:Description: <br /><p>&nbsp\;</p>\n<div>Abstract:</div>\n<div><b r>Molecular electronics represents a promising framework for computation\, memory\, and sensing\, where device behaviour is directly governed by mol ecular-scale physical phenomena. Accurate modelling of molecules is theref ore essential to understand and predict their functional properties\, yet the theoretical and computational tools required for this task are rarely addressed in standard Electronics studies. This seminar focuses on the mod elling of molecules employed in electronics applications\, discussing how molecular structure\, charge distribution\, and intermolecular interaction s determine the electrostatic behaviour of molecular ensembles\, as addres sed through the SCERPA tool. The talk spans physical descriptions of isola ted molecules as well as effective models suitable for circuit-level analy sis. We discuss the accuracy of the proposed modelling approach in capturi ng specific physical effects\, such as the presence of multiple conformers and time-dependent variations\, and we validate the model against molecul ar ensembles simulated using Density Functional Theory (DFT)\, also demons trating recent results in optimizing DFT calculation through SCERPA-mediat ed analysis. Field-Coupling Nanocomputing is presented as a representative case study to illustrate how molecular models can be progressively abstra cted and integrated into the design of logic cells and circuits. Particula r attention is devoted to the relationship between molecular physics and l ogical functionality\, highlighting how molecular topology and coupling me chanisms eventually influence information processing.<br><br></div><br />< br />Agenda: <br /><section></section>\n<div>\n<div class="gmail_default"> \n<div>\n<div class="gmail_default">\n<div>\n<div class="gmail_default">\n <div>\n<div>\n<p>Title: Electrostatic Modelling of Molecules for Computing at the Molecular Scale</p>\n<p>Date/Time: 10 March 2026\, 17:00 Rome/Cent ral European Time (16:00 UK\, 12:00 New York\, 09:00 California</p>\n<p>Sp eaker: Dr. Yuri Ardesi\, Assistant Professor at Politecnico di Torino\, De pt. of Electronics and Telecommunications</p>\n<p>&nbsp\;</p>\n<p>ZOOM LIN K</p>\n<div>Date: ​10 March 2026</div>\n<div>&nbsp\;</div>\n<div>Time: 1 7:00 Madrid/Central European Time (16:00 UK\, 12:00 New York\, 08:00 Calif ornia)</div>\n<div>&nbsp\;</div>\n<div>Zoom link:&nbsp\;<a id="m_830085570 7526534868OWAb45022a3-feb0-3543-5bcd-56add11ee7f5" href="https://zoom.us/j /96656865229?pwd=5vURevr4OIaxky7safnlxDu6wWoTmG.1" target="_blank" rel="no opener" data-saferedirecturl="https://www.google.com/url?q=https://zoom.us /j/96656865229?pwd%3D5vURevr4OIaxky7safnlxDu6wWoTmG.1&amp\;source=gmail&am p\;ust=1772911784205000&amp\;usg=AOvVaw1AzQlMiHEx22pwFWFZYX4W">https://zoo m.us/j/96656865229?<wbr>pwd=<wbr>5vURevr4OIaxky7safnlxDu6wWoTmG<wbr>.1</a> &nbsp\;</div>\n<div>Meeting ID &nbsp\;966 5686 5229</div>\n<div>Passcode 4 68534</div>\n</div>\n</div>\n</div>\n</div>\n</div>\n</div>\n</div>\n</div >\n<p class="MsoNormal">&nbsp\;</p> END:VEVENT END:VCALENDAR