Electrostatic Modelling of Molecules for Computing at the Molecular Scale
2026 IEEE NTC TC10 Modeling & Simulation March Webinar
Molecular electronics represents a promising framework for computation, memory, and sensing, where device behaviour is directly governed by molecular-scale physical phenomena. Accurate modelling of molecules is therefore 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 modelling of molecules employed in electronics applications, discussing how molecular structure, charge distribution, and intermolecular 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 for circuit-level analysis. We discuss the accuracy of the proposed modelling 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 Theory (DFT), also demonstrating recent results in optimizing DFT calculation through SCERPA-mediated analysis. Field-Coupling Nanocomputing is presented as a representative case study to illustrate how molecular models can be progressively abstracted and integrated into the design of logic cells and circuits. Particular attention is devoted to the relationship between molecular physics and logical functionality, highlighting how molecular topology and coupling mechanisms eventually influence information processing.
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Dr. Bettermann, Chair IEEE Region 2 Susquehanna Section Nano Chapter CH02177
Register for free here:
https://ieeenano.org/2026/2026-ieee-ntc-tc10-modeling-simulation-january-webinar/
(Zoom details will be sent by email after registration) - Co-sponsored by IEEE Nanotechnology Council
Speakers
Dr. Ardesi of Department of Electronics and Telecommunications at Politecnico di Torino (Turin, Italy)
Electrostatic Modelling of Molecules for Computing at the Molecular Scale
Abstract:
Molecular electronics represents a promising framework for computation, memory, and sensing, where device behaviour is directly governed by molecular-scale physical phenomena. Accurate modelling of molecules is therefore 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 modelling of molecules employed in electronics applications, discussing how molecular structure, charge distribution, and intermolecular 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 for circuit-level analysis. We discuss the accuracy of the proposed modelling 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 Theory (DFT), also demonstrating recent results in optimizing DFT calculation through SCERPA-mediated analysis. Field-Coupling Nanocomputing is presented as a representative case study to illustrate how molecular models can be progressively abstracted and integrated into the design of logic cells and circuits. Particular attention is devoted to the relationship between molecular physics and logical functionality, highlighting how molecular topology and coupling mechanisms eventually influence information processing.
Biography:
Bio:
Dr. Yuri Ardesi is an Assistant Professor in the Department of Electronics and Telecommunications at Politecnico di Torino (Turin, Italy), where he earned his Ph.D. in Electrical, Electronics, and Communications Engineering in 2022. His main research interests include molecular technologies for single-molecule sensing and molecular computing, with a particular focus on molecular Field-Coupled Nanocomputing and sustainable electronics. Since 2024, he has been the lecturer of Nanoelectronic Systems and, since 2019, the co-lecturer for Digital Electronics. He serves as an Associate Editor for the Springer Journal of Computational Electronics. In 2021, he chaired the IEEE Student Branch at Politecnico di Torino.
Address:Turin, Italy
Agenda
Title: Electrostatic Modelling of Molecules for Computing at the Molecular Scale
Date/Time: 10 March 2026, 17:00 Rome/Central European Time (16:00 UK, 12:00 New York, 09:00 California
Speaker: Dr. Yuri Ardesi, Assistant Professor at Politecnico di Torino, Dept. of Electronics and Telecommunications
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