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Messages - Vaida Arcisauskaite

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1
On September 7, 2021, we have released a Service Pack QuantumATK S-2021.06-SP1 (bugfix update).

If you are a customer entitled to maintenance services, you can access QuantumATK S-2021.06-SP1 and download release notes directly from SolvNetPlus.

Find more information about  the main QuantumATK S-2021.06 release here.

2
We are very pleased to announce QuantumATK S-2021.06! The latest version of the QuantumATK atomic-scale modeling platform includes many new exciting features and performance improvements.  Watch a free on-demand Synopsys webinar to learn more.

If you are a customer entitled to maintenance services, you can access QuantumATK S-2021.06 and download release notes directly from SolvNetPlus.


Highlights of the QuantumATK S-2021.06 Release

Machine-Learned (ML) Force Fields | Moment Tensor Potentials (MTPs)
-100-1000x faster generation of realistic structures of complex multi-element crystalline, amorphous materials & interfaces, defect and dopant migration barriers, thermal transport, crystallization vs. DFT.
-Systematically improvable MTPs
     -Trained on a dataset of ab-initio calculations.
     -One of the most accurate and efficient ML potentials on the market. Nearly the same accuracy as ab-initio.
     -For cases where no conventional potentials exist or need better accuracy.
-Active learning MTP simulations to automatically add DFT training data during molecular dynamics (MD) simulations.
     -Obtain realistic amorphous material and liquid structures, in particular, at high temperatures.
-Employ provided MTP potentials for Si or develop potentials for new materials and problems using automated training and simulation workflows.
-Use MTPs with MD, nudged elastic band and accelerated MD methods, such as force-bias Monte Carlo, now also with pressure control, to sample rare events and unlock slow mechanisms.



Complex Semiconductor Materials, Interfaces & Gate Stacks
-Use ML MTPs for obtaining realistic crystalline, amorphous materials, interface, gate stack structures, simulating dopant diffusion, thermal transport, and crystallization.
     -Examples include amorphous HfO2 and GST phase-change materials, HKMG stacks, etc.
-Fast and highly accurate electronic properties of materials, interfaces, and gate stack (e.g. HKMGs) structures comprised of multiple layers with different band gaps using the dielectric dependent hybrid HSE06 (HSE06-DDH) method.
     -HSE06-DDH method is based on using improved material-specific fractions of exact exchange, automatically calculated from density for each material (in an interface).
     -Available with LCAO basis sets for efficient large-scale simulations with modest hardware.
-Geometry optimization with stress and spin-polarization is now available with HSE06-LCAO.
     -Accurate large-scale simulations of electronic properties orders of magnitude faster compared to HSE06-PlaneWave.
-New inverse participation ratio (IPR) analysis object to evaluate localized states.
     -Part of the insightful electronic and vibrational analysis of systems with defects, amorphous materials, surfaces and interfaces, e.g., in HKMG and 3D-NAND memory stacks.
-Plot band edges in projected DOS, local DOS and projected local density of states analyzers.
-Defect and dopant simulation improvements
     -Easier set-up of individual defect migration paths.
     -Apply constraints and point defect symmetry to reduce the computational cost of defect diffusion simulations, e.g. at interfaces in HKMG stacks.


1D & 2D-Material Based FETs
-More accurate band diagrams and device I-V characteristics with the new HSE06-NEGF methodology compared to PBE-NEGF.
-More accurate on-state calculations using Neumann boundary conditions in the transport direction compared to Dirichlet at the Semi-Empirical level.
-Up to 80% faster simulations of gated devices with vacuum regions using the new Poisson solver using a non-uniform grid compared to the parallel conjugate gradient (PCG) solver.


Novel STT-MRAM Memory Design
-Obtain realistic interface structures and energetics of magnetic tunnel junctions in MRAM with ML MTPs.
-New magnetic properties such as Heisenberg exchange coupling, exchange stiffness, and Curie temperature.
-10-100x faster Heisenberg exchange calculations, now also with non-collinear spin and spin-orbit.
-60x times faster and 70 % less memory demanding magnetic anisotropy energy projection simulations.


Advanced Surface Process Simulations
-Enhanced surface process simulation module enabling scanning over a range of impact energies and incident angles of “shooting” atoms at a surface for maximum yield in sputtering, etching (ALE) and deposition (ALD) processes.
-Compute quantities, such as sputtering yield and sticking coefficient, needed for feature scale and reactor scale models.
     -Plot calculated sputtering yield and sticking coefficient using the new Grid Data Visualizer.
-Use the newly implemented thermochemical selectivity analysis tools in the GUI to screen critical reactions in a process, find ideal reactants and optimal reaction conditions for the processes.
     -Take advantage from the Thermochemistry Database  for reactants and products.


Battery Materials Modeling and Design

Building
-Improved plugin for adsorbing molecules onto a surface and a new nanoparticle builder for creating a nanoparticle electrode.
-Improved move, measurement and atom wrapping tools.

ForceField Simulations
-New bonded OPLS potential for common electrolytes and OPLS-Min potential for use with custom charges and simpler type assignments.
-Convenient access to bonded potentials in the GUI and possibility to edit all terms, including torsion potentials.
-Large-scale solid-electrolyte-interphase (SEI) simulations using 3x faster ReaxFF Force Field MD or combined bonded and conventional potentials in the GUI.
-Easy set-up and simulations with partial charges to model electrostatic interactions using the GUI.
-Vibrational spectra from MD to understand molecular interactions and solvation in liquid phase.
-Surface process modeling and Thermochemistry analysis tools for modeling reactions on electrode surfaces.

Density Functional Theory Simulations
-More accurate electronic structure, binding energies, and diffusion barriers with the hybrid DFT functionals, such as HSE06 and the newly added PBE0, B3LYP, B3LYP5.
     -Use LCAO basis sets for 100x speed-up compared to Plane Wave basis sets enabling highly efficient large-scale simulations with modest hardware.
-More accurate modeling of binding energy and adsorption sites with counterpoise corrections to DFT-NEGF.

Polymer Modeling
-Access bonded potentials (OPLS-AA, OPLS-Min, Dreiding, UFF) and edit them in the GUI for more convenient set-up of polymer simulations.
-Combine bonded and conventional potentials in the GUI for more accurate simulations of polymer-inorganic and polymer-nanoparticle interfaces.
-Graphically build and simulate polymer systems with ionically charged molecules using the QEq method, particularly relevant for photoresist -polymers.
-GUI support for united atoms in the polymer building workflow to speed up polymer simulations by folding hydrogen atoms into their attached carbon atom. 



Get QuantumATK S-2021.06

If you are a customer entitled to maintenance services, you can access QuantumATK S-2021.06 and download release and installation notes directly from SolvNetPlus.

3
Free Synopsys Webinar: Machine-Learned Force Fields in QuantumATK

Date: 26th of Aug, 2021
Time 1: 9 AM CEST (Europe) / 12.30 pm IST (India) / 3 pm CST (China) / 4 pm KST (South Korea) / 4 pm JST (Japan)
Time 2: 12 pm EDT (US East Coast) / 9 am PDT (US West Coast)/ 6 pm CEST (Europe)
Duration: 1 hour (including Q&A session)
NOTE: please click on the drop-down menu to choose the most convenient time for you.

Register for the webinar here.

Studying complex multi-element materials? Amorphous? Interfaces? Stacks?
Join us for a free webinar on Aug 26 to discover how developing and using Machine-Learned Force Fields in QuantumATK for these complex materials is:
•   Easy
•   Efficient
•   Accurate

Join this Synopsys webinar to gain insights on:
•   Automated workflows for generating ab-initio data for training and validation of Machine-Learned Force Fields - Moment Tensor Potentials (MTPs), enabling users to develop and use MTPs for new materials
•   Accuracy of MTPs – comparable to DFT but 100-1000x faster
•   Realistic generation of complex multi-element structures including amorphous materials and interfaces
•   Simulation of long-timescale events in large-scale systems including thermal transport, crystallization, defect migration
•   Active Learning MTP simulations to automatically add training data during molecular dynamics simulations to obtain realistic amorphous material and liquid structures, in particular, at high temperatures


You are welcome to ask questions throughout the webinar or at the end during the Q&A session. Contact us for more information at quantumatk@synopsys.com

Register for the webinar here.


4
Free Synopsys Webinar: Atomistic Simulations of Defects and Dopants with QuantumATK

Date: 6th of May, 2021
Time 1: 9 AM CEST (Europe) / 12.30 pm IST (India) / 3 pm CST (China) / 4 pm KST (South Korea) / 4 pm JST (Japan)
Time 2: 12 pm EDT (US East Coast) / 9 am PDT (US West Coast)/ 6 pm CEST (Europe)
Duration: 1 hour (including Q&A session)
NOTE: please click on the drop-down menu to choose the most convenient time for you.

Register for the webinar here.



Both native defects and introduced dopants play a key role, whether beneficial or detrimental, in a range of materials and devices. Therefore, advanced semiconductor, solar cell, and other high-tech industries depend crucially on the ability to identify, characterize, and control defects/dopants.
Join this Synopsys webinar to discover how you could benefit from accurate, efficient, and user-friendly atomistic defect/dopant simulations with QuantumATK and their integration with TCAD tools.
•   Discover how to conveniently set up, run, and analyze defect simulations using the QuantumATK NanoLab GUI with an interactive demo.
•   Learn from case studies in advanced semiconductor modeling and development


Participate and gain insights on:

•   Comprehensive characterization of extrinsic (dopants) and intrinsic charged point defects and complex defect clusters in bulk materials and interfaces
           o Calculate defect formation energies and trap levels
           o Use the latest techniques available for accurate and efficient predictions of band gaps and total energies, such as HSE-LCAO, DFT-1/2, and SCAN
•   Defect diffusion in crystalline and amorphous materials
           o Obtain migration barriers and paths using nudged elastic band and accelerated molecular dynamics simulations
•   User-friendly predefined workflows for setting up, running, and analyzing defects using the QuantumATK NanoLab GUI
•   Multiscale modeling going from atomistic to TCAD and then SPICE

Register for the webinar here.

Those with atomic-scale and/or TCAD experience, especially in working with advanced logic, power, and memory technologies, will greatly benefit by attending. Contact us for more information at quantumatk@synopsys.com.


5
On December 7, 2020, we have released a Service Pack QuantumATK R-2020.09-SP1 (bugfix update).

If you are a customer entitled to maintenance services, you can access QuantumATK R-2020.09-SP1 and download release notes directly from SolvNetPlus.

Find more information about  the main QuantumATK R-2020.09 release here.

6
Synopsys Webinar: New QuantumATK R-2020.09 Release: Highlights of New Features and Functionalities

Join us for a webcast highlighting the new features, functionalities, and improvements in the QuantumATK R-2020.09 software package for atomic-scale modeling of materials, nanostructures, and nanoelectronics devices! 
The QuantumATK R-2020.09 version was released on Sep 7, 2020. 

Date: 30th of September, 2020
Time 1: 9 a.m. CEST (Europe) / 12.30 p.m. IST (India) / 3 p.m. CST (China) / 4 p.m. KST (South Korea) / 4 p.m. JST (Japan)
Time 2: 12 p.m. EDT (US East Coast) / 9 a.m. PDT (US West Coast)/ 6 p.m. CEST (Europe)
Duration: 1 hour (including Q&A session)
NOTE: please click on the drop-down menu to choose the most convenient time for you

Register for the webcast here.

During this webcast, discover, among other new features:
 
Density Functional Theory (DFT) and Analysis Objects Updates
-Hybrid-functional method (HSE) for LCAO, which enables accurate DFT simulations of large-scale systems with modest computational resources. Up to 100x faster than plane-wave HSE for smaller systems, and tested on as many as 2,000 atoms.
-3D-corrected k·p method to speed up band structure and DOS calculations with plane-wave HSE from days/hours to less than a minute.
-Shell DFT+1/2 method for more accurate semiconductor band gaps.
-Nuclear magnetic resonance (NMR) simulations of molecules and solids.

Dynamics Updates
-Up to 2x faster ab initio molecular dynamics simulations.
-Improved methods to quickly obtain geometry estimates of a structure, including the addition of the Universal Force Field which covers the entire periodic table.
-Crosslinking reaction tool for building thermoset polymers + new user-friendly polymer analysis tools.

NanoLab GUI Updates
-State-of-the-art new molecular builder.
-Tool for generating good interface geometries for subsequent DFT geometry optimization.
-User-friendly framework for setting up, submitting, and analyzing a large numbers of simulations.

Sentaurus Materials Workbench
-Surface process module for setting up and running flexible simulation protocols of deposition, etching, and sputtering.
-Plugin for conveniently adsorbing molecules on a surface.
-New band gap correction method for defect trap levels gives more accurate results and can speed up calculations by 75x.
-Easy setup and analysis of a large set of different grain boundaries + user-friendly generation of a script that links the simulations to TCAD Raphael FX for interconnect simulations.

You are welcome to ask questions throughout the webcast or at the end during the Q&A session.


Register for the webcast here.

7
We are very pleased to announce QuantumATK R-2020.09! . The latest version of the QuantumATK atomic-scale modeling platform includes many new exciting features and performance improvements.

Join us for a webcast on the new QuantumATK R-2020.09 release on Sep 30.  

If you are a customer entitled to maintenance services, you can access QuantumATK R-2020.09 and download release notes directly from SolvNetPlus.


Highlights of the QuantumATK R-2020.09 Release


Density Functional Theory (DFT) & Analysis Objects Updates
-Hybrid-functional method (HSE) for LCAO, which enables accurate DFT simulations of large-scale systems with modest computational resources. Up to 100x faster than plane-wave HSE for smaller systems, and tested on as many as 2,000 atoms.
-3D-corrected k·p method to speed-up band structure and DOS calculations with plane-wave HSE from days/hours to less than a minute.
-Shell DFT+1/2 method for more accurate semiconductor band gaps.
-Nuclear magnetic resonance (NMR) simulations of molecules and solids, including advanced analysis of calculated NMR shielding tensors and chemical shifts in GUI.

Dynamics Updates
-Improved methods to quickly obtain geometry estimates of a structure using classical force fields.
-Newly added universal force field (UFF) covering the entire periodic table and thus allowing a wide range of materials to be simulated.
-Device geometry optimization improvements, resulting in better optimized device configurations.
-Nudged elastic band simulation improvements, including added possibility to use more flexible constraints.

Polymer Simulation
-Crosslinking reaction tool for building thermoset polymers, which form cross-linked or 3D network structures, such as epoxy/amine systems, as well as rubber-like network structures.
-Added support for united atoms and coarse-grained polymers to significantly accelerate simulations.
-New option to create your own monomers, add monomers in existing forward and now reverse orientations, in addition to using a convenient plug-in for assigning monomer tags to define monomer linking reactions.
-New user-friendly polymer analysis tools, which can be employed to plot end-to-end distances, free volume, polymer segments, molecular order parameters, and radius of gyration.

Performance Improvements
-2x faster ab initio molecular dynamics simulations.
-Enhanced parallel performance of dynamical matrix and Hamiltonian derivatives.
-Significant speed-ups and reduced memory consumption of parallel DFT-PlaneWave simulations.
-30-60% speed-up for the SCF loop for DFT-LCAO and semi-empirical simulations.
-Improved serial and parallel performance of zero-bias NEGF calculations of symmetric and asymmetric device geometries.
-6x speed-up and 50% reduced memory usage of projected local density of states (PLDOS) simulations.

NanoLab GUI Updates
-State-of-the-art new molecular builder, enabling bond lengths and angles editing, as well as a new bonds plug-in for finding, adding, or deleting static bonds in various configurations.
-Improved tool for generating good starting interface geometries, which is particularly useful when scanning across multiple interfaces.
-Other builder improvements, including enhanced GUI and added scripting builder functions to create devices, and improved Packmol builder for creating amorphous configurations.
-Enhanced 2D plotting framework to further tailor your plots, and an exposed plot framework API to build your own custom plots using scripts.
-User-friendly framework for setting up, submitting, and analyzing large number of simulations for more efficient high-throughput material screening.

Sentaurus Materials Workbench Updates
-Surface process module for setting up and running flexible simulation protocols of deposition, etching and sputtering.
-Plug-in for conveniently adsorbing molecules on a surface.
-New and improved features for defect simulations, including a new band gap correction method for defect trap levels, which gives more accurate results and can speed-up calculations by 75x, and the possibility to use multiple charge states in transition path list calculations.
-Easy setup and analysis of a large set of different grain boundaries, as well as user-friendly script generation for linking simulation outputs to TCAD Raphael FX for interconnect simulations.


Get QuantumATK R-2020.09

If you are a customer entitled to maintenance services, you can access QuantumATK R-2020.09 and download release and installation notes directly from SolvNetPlus.

8
Joint Webinar with IBM Research & Synopsys
Simulating Properties of Alternative Metals for Advanced Logic Interconnects

Date: 24th of June, 2020
Time 1: 9 AM CEST (Europe) / 12.30 pm IST (India) / 3 pm CST (China) / 4 pm KST (South Korea) / 4 pm JST (Japan)
Time 2: 12 pm EDT (US East Coast) / 9 am PDT (US West Coast)/ 6 pm CEST (Europe)
Duration: 1 hour (including Q&A session)
NOTE: please click on the drop-down menu to choose the most convenient time for you.

Register here.

Join this webinar to learn more about the joint efforts of IBM Research and Synopsys and recently developed Atomic-Scale QuantumATK to TCAD Raphael FX Workflow on supporting the exploration and eventual integration of alternative metals in advanced logic interconnect technology. This work is part of the IBM Research and Synopsys collaboration on accelerating post-FinFET process development with Design Technology Co-Optimization (DTCO) innovations.

Current issues:
Scaling of semiconductor logic technologies to the 3nm node and beyond, motivates the evaluation of new metals for the power rails and signal wires. The purpose is to mitigate the rising impact of interconnect parasitics on performance.
The current solution which is based on copper and a barrier metal shows a significant rise in resistivity as conductor widths decrease, and eventually leads to lower performance and higher IR drop.

Participate and gain insights on:

-How to simulate vertical resistance in vias, i.e., interfaces between various conductor, adhesion liners, wetting, and diffusion layers.
-How to efficiently evaluate resistance due to scattering at grain boundaries (GBs) in metals by using Sentaurus Materials Workbench (SMW) under QuantumATK. 
     -SMW automates key tasks including easily building and relaxing a large set of GBs, calculating GB reflection coefficients, and GB resistivity for different average grain sizes.
-How the results from SMW can be automatically incorporated into the TCAD Raphael FX simulations
     -For handling extraction of interconnect resistance and capacitance of complex process structures.

Presented by: 
•   Timothy Philip, PhD, Research Staff Member for IBM Research
•   Troels Markussen, PhD, Senior R&D Engineer for Synopsys QuantumATK
•   Shela Aboud, PhD, R&D Engineer for Synopsys TCAD

Audience with atomic-scale, TCAD, and technology development experiences, especially in working with advanced logic processes, will greatly benefit by attending.
You are welcome to ask questions throughout the webinar or at the end during the Q&A session.

Register here.

9
Webinar: Simulation of Polymers with the QuantumATK Platform

Date: 14th of May, 2020
Time 1: 9 AM CEST (Europe) / 12.30 pm IST (India) / 3 pm CST (China) / 4 pm KST (South Korea) / 4 pm JST (Japan)
Time 2: 12 pm EDT (US East Coast) / 9 am PDT (US West Coast)/ 6 pm CEST (Europe)
Duration: 1 hour (including Q&A session)
Please click on the drop-down menu to choose the most convenient time for you.

Register here.
 
Join us for a webinar exploring the world of polymer simulations with the QuantumATK platform . Polymer simulation tools in QuantumATK are used to design polymers with improved thermo-mechanical, thermal conductivity and optical properties within R&D of areas such as photoresist, transparent polymers and polymers used for tire and insulation industries.

•   See in action how easy it is to build and equilibrate representative polymer models using an automated polymer building workflow. Control variables such as tacticity, chemical composition and the inclusion of plasticizers, particles and surfaces to produce specific structures tailored to different problems.

•    Learn how QuantuamATK can be used to estimate properties of polymer systems using highly scalable molecular dynamics (MD) simulations. Calculate important properties such as glass transition temperature, elastic moduli, and thermal transport.

•   Discover how the polymer analysis tools within QuantumATK can rapidly provide insight into the behavior of different polymer systems.

•   Find out how accurate density functional theory (DFT) calculations can be incorporated into polymer simulations to describe properties related to electronic structure, such as the optical spectrum.

Presenter:
Brad Wells, PhD
Senior Applications Engineer
Synopsys QuantumATK Product Group

Though this webinar is targeted to researchers with atomic-scale modeling experience, attendees without such experience can also get an overview of how such simulations can be used to design polymers. You are welcome to ask questions throughout the webinar or at the end during the Q&A session.

Register here.

10
On March 9, 2020, we have released a Service Pack QuantumATK Q-2019.12-SP1 (bugfix update).

If you are a customer entitled to maintenance services, you can access QuantumATK
Q-2019.12-SP1 and download release notes directly from
SolvNetPlus.
 
Fixed Bugs

Density Functional Theory
-No informative message is shown when the FTT grid for the local exact exchange
potential is not large enough to fit all reciprocal lattice vectors in DFT hybrid plane wave simulations.

Analysis Objects
-Parallel execution hangs for automatic band selection in electron phonon coupling.
-Mobility isotropic mode crashes if configuration is not updated.
-Parallel execution of mobility for polarized calculations could fail in data collection.

Ion Dynamics
-Geometry optimization behaves unexpectedly after restart when using a rigid body
constraint.
-No informative error message is shown when classical molecular dynamics
simulations with the TremoloX calculator crash due to diverging temperature.

Non-Equilibrium Green’s Function (NEGF) Method for Device Simulations
-The detection mechanism for transverse electrode repetitions in NEGF self-energy
simulations fails to detect repetitions when a perfectly repeated bulk configuration
has perturbations of the order of 1e-6 Å.


NanoLab GUI
-The overlapping atom check button in the builder crashes NanoLab on Windows
operating systems.
-In the script generator, the k-point sampling widget used to set up nudged elastic
band simulations does not correctly translate the density to a sampling.
-Tiny graphics issues when changing projects, opening and closing NanoLab on
 Windows operating systems.
-NanoLab raises an error when it cannot reach a server to check new versions of
QuantumATK behind firewalls.
-QuantumATK uninstaller does not always remove all files after multiple users run
NanoLab.


Sentaurus Materials Workbench
-Cannot run defect lists with phonon contributions when the zero charge state is absent.
-Improved grain boundary scattering  calculations in parallel.



Find more information about  the main QuantumATK Q-2019.12 release here.

11
Scientific software developer position open in Copenhagen, Denmark

Synopsys is seeking a scientific software developer for our QuantumATK  development team in Copenhagen.

Apply here

Location
DENMARK - Copenhagen

Job Description and Requirements
Synopsys is seeking a scientific software developer for quantum simulation applications for our development team in Copenhagen, Denmark. You will be part of our team of world leading experts in atomic-scale simulations who are developing the QuantumATK software. Your job will be to implement and verify new modules to be used by our many industrial and academic users. The tasks require extensive experience with quantum simulations of solid-state systems, in particular density functional theory and talent for software development.
We are looking for a talented individual with strong competences in the areas

Quantum simulations
-Personal experience with solid state quantum codes
-Strong general background in solid state physics
-General programming skills, in particular Python and c++
-Excellent written and oral communication skills in English
 
The successful applicant
-Is an outstanding individual with strong competences in programming or atomic-scale modelling
-Has a broad set of skills and is ready to apply them to whatever task assigned
-Is dedicated with focus on getting the job done without sacrificing quality
-Is a team player
-Enjoys communicating and helping other people
-Has a positive mindset and is motivated by challenging projects
-Is self-motivated and takes responsibility and initiative
 
Synopsys offers you
-A challenging and dynamic work environment
-A role in cutting-edge nanotechnology
-Highly competent and motivated team members
-To be part of a company with a strong growth and a high potential
-To see a direct impact of your work
-Attractive salary package

Apply here

12
One Fully Funded Ph.D. Studentship Available at UCL, London

The Department of Physics and Astronomy, UCL and Synopsys are seeking applications from enthusiastic PhD candidates interested in carrying out fundamental research using quantum mechanical methods in collaboration with an industrial partner. This 3.5 years PhD project will be carried out in the group of Prof. Alexander Shluger at the Department of Physics and Astronomy, UCL in collaboration with Synopsys, the global leader in software for design and verification of microelectronic devices. It will focus on modeling the effects of defects in materials on degradation and dielectric breakdown in nano-electronic devices for future green technologies and artificial intelligence.

Project Overview
The power consumption and reliability of modern nano-electronic devices, such as transistors and memory cells, strongly depend on the defects present in the insulator and at the metal-insulator interface. This PhD project will use computational modelling tools developed at UCL and by the Synopsys QuantumATK team to understand causes of degradation of devices at atomistic level and predict ways of improving their reliability and power consumption. This will involve developing novel methods for modelling the structure and properties semiconductor/insulator/metal interfaces based on atomistic modelling and Density Functional Theory.

Candidate's Profile
Highly motivated candidates from Physics, Chemistry or Materials Science Departments are strongly encouraged to apply for this post. Please note that, due to funding restrictions, only UK citizens and EU citizens who studied in the UK over the last 3 years are eligible for this studentship. The PhD training and research will be carried out at UCL and the London Thomas Young Centre. The starting date of the project is on September 28, 2020.

Application
The closing date for applications is 31st March, 2020. Evaluation of applications will commence immediately, and will continue until the position is filled. Applications and inquiries regarding the vacancy can be made to a.shluger@ucl.ac.uk  (Tel: +44 (0)20 7679 1312).

13
Three Fully Funded Industrial Ph.D. Studentships Available

The Device Modelling Group at the University of Glasgow, IBM Research Zurich and Synopsys QuantumATK are looking to appoint three Early Stage Researchers to work in the framework of the Marie Skłodowska-Curie European Industrial Doctorate Network on the ‘Defect Simulations and Material Growth of III-V Nanostructures – European Industrial Doctorate’ project.

To apply and learn more.

Project Overview
There is a great interest in integrating compound semiconductors either monolithically or heterogeneously on silicon to exploit their complementary properties. Particularly to exploit the direct bandgap of III-Vs for opto-electronic devices densely integrated with CMOS. In this project we will address the challenges associated with the formation of defects and material growth in compound semiconductors such as III-Vs as well as their impact on device performance. Defects may be exploited in the development of novel devices, but more often we wish to mitigate their deteriorating impact on electro-optic device performance, by growth and materials optimization.

Candidates’ Profile
Three candidates with a master’s degree in physics, engineering or chemistry with knowledge of solid-state physics, materials science or electrical engineering and with an outstanding academic record. The candidates must be fluent in English, have good communication skills and be able to navigate in an international environment.

Individual Projects
ESR1 will mainly focus on aspects related to III-V materials epitaxial growth on silicon, TEM analysis and development of a machine learning algorithm for defect classification. Development of simulation framework to model the electronic and optical properties of individual defects.
Employment: IBM Research Zurich (Switzerland) (22 Months) & University of Glasgow (UK) (14 Months).

ESR2 will explore the role of defects in the context of opto-electronic device performance, this will be done first via simulation where optimized designs will be developed, and later these will be fabricated by the ESR at IBM.
Employment: University of Glasgow (UK) (14 Months), IBM Research Zurich (Switzerland) (22 Months)

ESR3 will develop theoretical models which will describe the complexity of the material growth process and defect formation in III-V materials. Those models will be implemented in state-of-the-art QuantumATK commercial simulation framework.
Employment: University of Glasgow (UK) (12 Months), Synopsys QuantumATK (Denmark) (24 Months)

Application

 Please send your application as a .pdf file, including the following documents:
-Curriculum Vitae, Official transcripts, 2 Reference letters
ESR1 & ESR2: Dr. Vihar Georgiev, Vihar.Georgiev@glasgow.ac.uk, Dr. Kirsten Moselund, kmo@zurich.ibm.com and Marilyne Sousa, sou@zurich.ibm.com
ESR3: Dr. Vihar Georgiev, Vihar.Georgiev@glasgow.ac.uk, Søren Smidstrup, soren@synopsys.com

To apply and learn more.

14
News and Announcements / Open position: Senior GUI developer
« on: February 14, 2020, 11:50 »
Open Position: Senior GUI Developer


Synopsys is seeking a senior GUI developer for our QuantumATK NanoLab development team in Copenhagen.

Apply here

Location
DENMARK - Copenhagen

Job Description and Requirements

QuantumATK NanoLab delivers a unique user-friendly interface to a leading atomic-scale modelling tool used for R&D within electronics, materials science, and chemistry. The user base is rapidly expanding and we are seeking an experienced individual with a passion for GUI development and a talent for designing innovative user experiences. As part of our international team of world leading experts in quantum physics and materials simulations, you will contribute to the creation of intuitive workflows and push the limits of our in-house developed 3D-graphics engine.

We are looking for a talented individual that
-possesses strong competences within user-friendly GUI design and usability;
-is experienced with Qt;
-has solid programming skills: in particular Python and C++;
-has excellent written and oral communication skills in English.

The successful applicant
-is an outstanding individual with strong competences in programming or atomic-scale modelling;
-has a broad set of skills and is ready to apply them to whatever task assigned;
-is dedicated with focus on getting the job done without sacrificing quality;
-is a team player;
-enjoys communicating and helping other people;
-has a positive mindset and is motivated by challenging projects;
-is self-motivated and takes responsibility and initiative.

Synopsys offers you
-a challenging and dynamic work environment;
-a role in cutting-edge nanotechnology;
-highly competent and motivated team members;
-to be part of a company with a strong growth and a high potential;
-to see a direct impact of your work;
-an attractive salary package.


Apply here

15
Webinar: Simulation of Optical Properties with the QuantumATK Platform


Date: 19th of February, 2020
Time 1: 9 AM CET (Europe) / 1.30 pm IST (India) / 4 pm CST (China) / 5 pm KST (South Korea) / 5 pm JST (Japan)
Time 2: 12 pm EST (US East Coast) / 9 am PST (US West Coast)/ 6 pm CET (Europe)
 
Duration: 30 minutes (including Q&A session)
 
Please check on the drop-down menu to choose the most convenient time for you.

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Join us for a webinar to discover a wide range of optical and electro-optical analysis tools for bulk, 2D materials and nanowires available in QuantumATK. These tools are of paramount importance when characterizing emerging materials, extracting information about vibrational, and chemical properties, inhomogeneities, strain, crystallinity, electron-phonon coupling and anharmonicities in a local environment, and detecting different structural phases.

  -See in action how easy it is to set up and perform optical and electro-optical analysis calculations of
           -Raman spectrum: either polarization dependent for one or multiple angles between incoming and scattered light, or polarization averaged spectrum
           -Infrared spectrum
           -Refractive indices, extinction coefficients, reflectivity, susceptibility, optical conductivity
           -Optical spectrum including a possibility to calculate an intraband contribution for metals
           -Second order susceptibility
           -Electro-optical tensor

  -Learn how to conveniently resolve different phonon contributions to optical properties, investigate the importance of ionic contribution to optical properties in polar materials and the effect of electron-phonon coupling
  -Discover how you could use the intuitive NanoLab GUI to plot and analyze results from optical property simulations
 
Learn more about calculating optical properties with QuantumATK here:
  - Optical Spectrum
  - Raman Spectrum

You are welcome to ask questions throughout the webinar or at the end during the Q&A session.

Presenter
Tue Gunst, PhD
Senior Applications Engineer
Synopsys QuantumATK Product Group

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