Program at a Glance
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Abstract Book

IWCN 2021 is a virtual workshop. Papers will be presented online in the form of pre-recorded video presentation. However, some of the contributed papers will be presented live in an online live presentation session (see Live Session below).

During the workshop from May 24th to June 6th, registrants will be able to play presentation videos based on video-on-demand.

Live Online Presentation Session

To promote a greater interaction between the speakers and the audience during the workshop, we have organized a live online presentation session which will be held on May 31 (Monday). Due to the time limitation, 8 papers were selected based on the abstract review results and the authors’ willingness to give their talk live. An online Zoom meeting will be created for the session in which workshop registrants can participate remotely. Each talk will be 15 minutes long including Q&A.

The session starts at 9:00 pm May 31, Korean Time (GST+09:00)

Introduction 09:00-9:10
Numerical calculation of the transverse modes in 1T' MoS2 nanoribbons Hans Kosina
(TU Wien, Austria)
09:10-9:25
Pair-production in vacuum and plasmas using the Wigner formalism Haidar Al-Naseri
(Umeå University, Sweden)
09:25-9:40
Monte Carlo study of single photon avalanche diodes: quenching statistics Thibauld Cazimajou
(Université Paris-Saclay, France)
09:40-9:55
A Godunov-type stabilization scheme for solving the stationary and transient Boltzmann transport equation Paul Luckner
(RWTH Aachen University, Germany)
09:55-10:10
Dynamic modelling of quantum transport within MGFETs Lukas Schultz
(TU Dortmund, Germany)
10:10-10:25
Mechanism of resistance switching in hexagonal boron nitride Fabian Ducry
(ETH Zurich, Switzerland)
10:25-10:40
Density functional theory modeling of chemical reactions at interfaces Namita Narendra
(Purdue University, USA)
10:40-10:55
Multiscale modeling of hole avalanche multiplication and excess noise in amorphous selenium semiconductors Atreyo Mukherjee
(Stony Brook University, USA)
10:55-11:10
Session 1 First Principles Calculations and Materials Simulations
Invited

Machine learning potentials enabling realistic-size simulation and accelerated material discovery

Seungwu Han
(Seoul National University, South Korea)
Live

Numerical calculation of the transverse modes in 1T’ MoS2 nanoribbons

Hans Kosina
(TU Wien, Austria)
09:10-09:25 pm
May 31
Live

Pair-production in vacuum and plasmas using the Wigner formalism

Haidar Al-Naseri
(Umeå University, Sweden)
09:25-09:40 pm
May 31
Live

Density functional theory modeling of chemical reactions at interfaces

Namita Narendra
(Purdue University, USA)
10:40-10:55 pm
May 31
Electronic states in 4H-SiC MOS inversion layers considering crystal structure using empirical pseudopotential method Sachika Nagamizo
(Osaka University, Japan)
First-principles study of gate field effect in vertical van der Waals heterostructures Juho Lee
(Korea Advanced Institute of Science and Technology, South Korea)
Multiscale investigation of the transport properties in partially overlapped van der Waal structure of 2D materials Emmanuele Cannavò
(Università di Pisa, Italy)
Simulation web platform for electro-chemical oxygen reduction reaction Seungchul Kim
(Korea Institute of Science and Technology, South Korea)
First-principles calculation of the non-equilibrium quasi-Fermi level in WSe2 p-n junction Tae Hyung Kim
(Korea Advanced Institute of Science and Technology, South Korea)
Anomalous thermoelectric transport in biased bilayer WSe2 Vassilios Vargiamidis
(University of Warwick, United Kingdom)
Accurate band-gap database for semiconducting inorganic materials: beyond the level of PBE Sangtae Kim
(Seoul National University, South Korea)
THz optical properties of graphene quantum dot with transition metal adatom – time dependent DFT study Do Hyeon Kim
(Pohang University of Science and Technology, South Korea)
Session 2 Quantum Transport in Ultimately Scaled Devices
Invited

Ultrafast electron dynamics in a silicon quantum-dot single-electron pump

Akira Fujiwara
(NTT Corporations, Japan)
Interfacial trap effects in InAs gate-all-around nanowire tunnel field-effect transistors: first-principles-based approach Hyeongu Lee
(Korea Advanced Institute of Science and Technology, South Korea)
Equivalent model for tunneling simulation of direct-gap semiconductor nanowires Jo Okada
(Osaka University, Japan)
DFT-NEGF study of biaxial strain effects on Co2FeAl-based magnetic tunnel junctions Seongcheol Noh
(Korea Advanced Institute of Science and Technology, South Korea)
Simulation of AC responses using non-equilibrium Green's function at finite frequencies Phil-Hun Ahn
(Gwangju Institute of Science and Technology, South Korea)
Assessing quantum thermalization in small isolated quantum systems through local-in-position weak values of the momentum Carlos F. Destefani
(Universitat Autónoma de Barcelona, Spain)
Highly efficient thermionic cooling semiconductor devices based on tilted-barrier heterostructures Marc Bescond
(LIMMS-CNRS, Japan)
Effects of thin dipole layer in silicon tunnel field effect transistors Yeongjun Lim
(Korea Advanced Institute of Science and Technology, South Korea)
Quantum transport framework for highly conductive δ-layer systems Juan P. Mendez
(Sandia National Laboratories, USA)
Quantum transport simulation on 2D ferroelectric tunnel junctions Eunyeong Yang
(Ulsan National Institute of Science and Technology, South Korea)
Session 3 Simulations of Emerging Devices
Invited

Computational research of CMOS channel material benchmarking for future technology nodes: missions, learnings, and remaining challenges

Raseong Kim
(Intel Corporation, USA)
Invited

Advanced modeling of emerging nonvolatile magnetoresistive devices

V. Sverdlov
(TU Wien, Austria)
Live

Multiscale modeling of hole avalanche multiplication and excess noise in amorphous selenium semiconductors

Atreyo Mukherjee
(Stony Brook University, USA)
10:55-11:10 pm
May 31
Asymmetry of current-induced heating in magnetic tunnel junctions Tomáš Hádámek
(TU Wien, Austria)
Spin drift-diffusion approach for the computation of torques in multi-layered structures Simone Fiorentini
(TU Wien, Austria)
Improved sampling algorithms for Monte Carlo device simulation Markus Kampl
(TU Wien, Austria)
Scattering implementation in the quantum transport BITLLES simulator Matteo Villani
(Universitat Autònoma de Barcelona, Spain)
How to preserve the Kramers-Kronig relation in inelastic atomistic quantum transport calculations Daniel Lemus
(Purdue University, USA)
Efficient machine-learning-based optimization of 3-nm node nanosheet FETs Bokyeom Kim
(Korea Advanced Institute of Science and Technology, South Korea)
Deep learning-supported gate-structure design for a high performance graphene FET Gyeong Min Seo
(Pohang University of Science and Technology, South Korea)
Simulation of ballistic spin-MOSFET devices with ferromagnetic channels Patrizio Graziosi
(CNR-ISMN, Italy)
Modeling dark current in vertically stacked amorphous selenium based photodetectors Le Ho
(Stony Brook University, USA)
Effective Monte Carlo simulator of hole transport in SiGe alloys Caroline S. Soares
(Universidade Federal do Rio Grande do Sul, Brazil)
Two-dimensional diffusion process simulation of Si-implanted Ga2O3 In Ki Kim
(Gwangju Institute of Science and Technology (GIST), South Korea)
Temperature dependent electrical characteristics and single charge trap induced by random telegraph noise of bulk FinFETs Sekhar Reddy Kola
(National Yang Ming Chiao Tung University, Taiwan)
Session 4 Photonics, Optoelectronics, and Thermal Transport
Invited

Thermoelectric properties of complex band and nanostructured materials

Neophytos Neophytou
(University of Warwick, United Kingdom)
Invited

Multiscale modeling and simulation of advanced photovoltaic devices

Stephen Goodnick
(Arizona State University, USA)
Live

Monte Carlo study of single photon avalanche diodes: quenching statistics

Thibauld Cazimajou
(Université Paris-Saclay, France)
09:40-09:55 pm
May 31
Study of the modal contributions to the heat flux to characterize the phonon transport regime in Si/Ge heterojunctions N. D. Le
(Université Paris-Saclay, France)
Elastic-wave scattering from an object above a rough surface: a numerical time-domain technique Laleh Avazpour
(University of Wisconsin-Madison, USA)
2D plasmon-polariton excitation in plasmonic THz detector with 2D diffraction grating structure Yuma Sasaki
(Tohoku University, Japan)
A density-matrix model for photon-assisted electron transport in quantum cascade lasers Sina Soleimanikahnoj
(University of Wisconsin-Madison, USA)
FDTD algorithm for fields and potentials with convolutional perfectly matched layer absorbing boundary conditions Michelle L. King
(University of Wisconsin-Madison, USA)
Simulation of graphene photodetectors incorporating the photo-gating effect Shingo Aida
(Kobe University, Japan)
Second-order Hall effect in insulators: the effect of interband Berry curvature dipole Mahmut Sait Okyay
(Ulsan National Institute of Science and Technology, South Korea)
Time-dependent density functional theory calculations for spin-phonon-polarization dynamics and band topology Mahmut Sait Okyay
(Ulsan National Institute of Science and Technology, South Korea)
Session 5 Methodology and Numerical Techniques
Live

A Godunov-type stabilization scheme for solving the stationary and transient Boltzmann transport equation

Paul Luckner
(RWTH Aachen University, Germany)
09:55-10:10 pm
May 31
Live

Dynamic modelling of quantum transport within MGFETs

Lukas Schulz
(TU Dortmund, Germany)
10:10-10:25 pm
May 31
Parallel solver study for solving the Boltzmann transport equation using spherical harmonics expansions on supercomputers Felipe Senra Ribeiro
(TU Wien, Austria)
Ab initio quantum transport simulation of lateral heterostructures based on 2D materials: assessment of the coupling Hamiltonians Adel M’foukh
(Université Paris-Saclay, France)
Feature scale modeling of fluorocarbon plasma etching for via structures including faceting phenomena Frâncio Rodrigues
(TU Wien, Austria)
Modeling GaN nanowire and nanofin FETs electrostatics using fast 2D/3D Schrödinger-Poisson solver Viswanathan Naveen Kumar
(Arizona State University, USA)
A practical Peierls phase recipe for periodic atomistic systems under magnetic fields Alessandro Cresti
(Grenoble Alpes University, France)
Recursive open boundary and interfaces method for material property predictions James Charles
(Purdue University, USA)
Exciton diffusion properties in carbon nanotube films Yichen Li
(University of Wisconsin-Madison, USA)
Constructing machine-learning potentials derived from disordered structures for crystal structure prediction Changho Hong
(Seoul National University, South Korea)
Numerical solution of Poisson and Landau-Khalatnikov equations for negative capacitance devices with PZT and HZO ferroelectric films Yu-Chin Tsai
(National Yang Ming Chiao Tung University, Taiwan)
Analysis and simulation of basic memristor properties Bernardo Tellini
(University of Pisa, Italy)
Session 6 Novel Devices and Future Computing
Invited

Hybrid modeling of TCAD and AI for semiconductor design

Changwook Jeong
(Samsung Electronics, South Korea)
Invited

Quantum information and quantum foundations with spins in silicon

Andrea Morello
(UNSW Sydney, Australia)
Invited

Analogue computing with resistive memory devices

Daniele Ielmini
(Politecnico di Milano, Italy)
Live

Mechanism of resistance switching in hexagonal boron nitride

Fabian Ducry
(ETH Zurich, Switzerland)
10:25-10:40 pm
May 31
Extraction of contact resistance from Green's function simulations of 2D material nanoribbon devices Mirko Poljak
(University of Zagreb, Croatia)
Machine learning models for diffused copper doping profiles in CdTe solar cells Ghaith Salman
(Arizona State University, USA)
Understanding sensitivity of entangled qubit logic operations in electrode-driven semiconductor quantum dot platforms Hoon Ryu
(Korea Institute of Science and Technology Information, South Korea)
Inverse-designed spin dynamics for neuromorphic computation Adam Papp
(Pázmány Péter Catholic University, Hungary)
Analytical models of ferroelectric field effect transistor with two-dimensional channel material Jeonghyeon Kim
(Ulsan National Institute of Science and Technology, South Korea)
Metadynamics sampling in atomic environment space for collecting training data for machine learning potentials Dongsun Yoo
(Seoul National University, South Korea)