IWCN2021

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)