CONTRACT RESEARCH

Promoting the Industrial-Academic Partnership

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In collaboration with:

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​​The adoption and implementation of Computational Science and Scientific/Engineering Modeling techniques represent a highly advantageous R&D strategy, that can significantly improve the productivity and innovative aspects of an industrial product design process. Examples of how scientific and engineering computing and simulations can help to bring down development and testing costs, while at the same time pave the way for new technological discoveries, are provided in the documents linked below. These documents assess the economic impact and R&D advantages for the two specific cases of Materials and Molecular Modeling respectively. A third report offering a general review of the scientific software industry is also displayed below, for reference purposes.

 

The above reports have been compiled by one of our collaborators, Dr. Gerhard Goldbeck from Goldbeck Consulting, as part of a larger effort coordinated by the European Materials Modeling Council (EMMC) to foster and facilitate the accessibility of scientific and engineering simulation techniques, for the benefit of the wider industrial and technology world.

 

In a similar spirit, Quantum Server Networks provides remote contract research/consultancy services on computational science and engineering topics to clients from industry, academia or governmental laboratories and institutions. A diverse and broad range of expertise and services are offered to our clients, corresponding to the professional profiles of the member consultants outlined throughout the present page.

In order to begin a new collaboration with one of the expert consultants whose profile is presented herein, please send a message to the following email address: gabriele.mogni@qscomputing.com . Further instructions on how to proceed forward with the collaboration will then be provided to your company or organization. Please note that all financial transactions negotiated between the client and consultant are subject to a 15% commission fee operated by Quantum Server Networks. Other than this, unlimited freedom and flexibility is offered to both clients and consultants to negotiate the terms of their agreement between them (for example duration of the contract, hourly rates, payment method etc..)

For the smooth execution of online collaborations, Quantum Server particularly recommends the TeamViewer remote desktop software, the Zoom video-conferencing software, the Slack professional instant messaging tool, the JIRA task-management and issue-tracking platform (or Asana for a free alternative), and finally the GitHub source code sharing repository and software development platform.

We also recommend the AWS cloud computing provider, for executing massively parallel simulations when in-house high-performance computing facilities are in short supply. Please consult the following tutorial for instructions on how to operate MPI-based parallel simulation codes on AWS.

Please find attached below the terms of agreement for participating in our contract research service, in the form of a legal contract. We kindly ask all interested parties, both clients and consultants, to accept and return a signed copy of the below document to the following address: gabriele.mogni@qscomputing.com

OUR TEAM OF CONSULTANTS

For all queries: gabriele.mogni@qscomputing.com

Cemal Basaran

Moise Dongho-Nguimdo

Dr. Cemal Basaran is a Professor in the Dept. of Civil, Structural and Environmental Engineering and the Director of Electronic Packaging Laboratory at University at Buffalo, The State University of New York.

He specializes in computational and experimental damage mechanics of electronics materials. He has authored 140 + peer reviewed archival journal publications and several book chapters in the fields of damage mechanics. His research includes development of the Unified Mechanics Theory, which is the unification of Newtonian’s Laws and the Laws of Thermodynamics, and nano mechanics of 2-D materials. Some of his awards include 1997 US Navy ONR Young Investigator Award, and 2011 ASME EPPD Excellence in Mechanics Award. He is a Fellow of the ASME. He has served and continues to serve on editorial board of 15 peer reviewed international journals, including IEEE Trans. on Advanced Packaging, IEEE Components, Packaging and Manufacturing Tech , ASME Journal of Electronic Packaging, ASCE Journal of Nanomechanics and Micromechanics, Entropy, as well as numerous other journals. He has been the primary dissertation advisor to 23 PhD students.

His research has been funded by NSF, ONR, DoD, State of New York, and many industrial sponsors including but not limited to Northrop Grumman, Raytheon, Delphi, Intel, DuPont, Texas Instruments, Micron, Tyco Electronics, Analog Devices and many others.

He serves as advisor to many national and international research funding agencies around the globe.

Ambitious researcher and hard worker with a strong background in computational Materials science fields and data analysis. I explore the interaction of electric and magnetic field with the magnetic materials and enhance the magnetoelectric response which is highly advantageous for designing modern device.I am also interested in large data processing and analysis using modest machine learning techniques. Currently, I am working in a project that can enhance the efficiency of data collection and processing of medical claims. I use Python and the respective libraries Pandas, NumPy, SciPy and Matplotlib.

Tamene Dasa

Dr Dongho-Nguimdo is Research Associate at the University of South Africa. My research focuses on modelling  materials using  quantum mechanical principles in the frame work  of DFT and many-body  perturbation theory (GW, BSE) to study their physical properties and suggest suitable applications. I am interested in predicting and probing novel materials that are potential solar energy harvesters, thermo-electrics,and photocatalytic hydrogen producers. Moreover, I am also familiar with machine learning and high throughput techniques for predicting properties of materials.

Computational  experience in   VASP, Quantum Espresso, CASTEP,  Phonopy and  Boltztrap.
Programming skills:  Python, C, Mathematica and Sage.
Scripts: Bash and  awk. 

Mahdi Faghihnasiri

I am Dr. Mahdi Faghihnasiri head of a group of young researchers, entitled "NRTC" (http://www.nrtc.science). Nano Research and Training Center (NRTC) is a group of young, enthusiastic and talented experts in DFT and MD simulations. We train simulation techniques to the researchers also cooperate with them in complex simulation challenges and give them professional support in order to accelerate and optimize the material design process. The most important advantage of our group, compared with other research groups in the world, is inexpensive human resources. We are going to expand our activities with other researchers in the world.

Center of the NRTC is ready to cooperate scientifically in the field of Computational materials science with other research groups. Our research priorities are as follows:
Energy storage:
       * Solar Cell (Perovskites, Organics, ...)
       * Li/Na-ion battery
       * Superconductor
       * Supercapacitor
Petroleum industry:
       * Catalysis
       * Gases adsorption
       * Helium gas filter
Water purification
Health
       * Biosensor
       * Drug delivery
Elastic properties of materials
Spintronic
Optical sensors
Alloys
2D Materials

It should be noted that We are interested in expanding our field of research in other areas as well.

Moreover, We have a specialist team in the field of design and implementation of HPCs. The computing cluster belonging to us with the name of RAYANGAR has been designed by this team And provides cheap computing services for other research groups.

You can find my GoogleScholar at this address:

https://scholar.google.com/citations?user=HYpC6-oAAAAJ&hl=en

Tanveer Hussain

I am a computational material scientist with expertise in several disciplines including computational material design, condensed matter theory, energy materials etc. My formal training is in computational condensed matter physics, mainly material design by using quantum mechanical calculations. My strengths are diverse backgrounds and ability to successfully adapt to a wide range of academic environments.


During my graduate and post-graduate research career, I have worked in four different universities and groups. Each of these strategically enabled me to expand my training in physics and material science and build a set of skills in computational material science and material physics/chemistry. These research experiences endowed me with
an extensive experience in H 2 storage and two-dimensional materials that is the focus of this proposal. Post my PhD, I have completed two prestigious postdoctoral fellowships; first at the Royal Institute of Technology (KTH), Sweden, and second at The University of Queensland (UQ), Australia. Currently, I am a senior research
associate at The University of Western Australia (UWA), Australia, since April 2018. I have taken full advantage of the unique scientific environment and outstanding opportunities for education, research and professional development during all of my appointments. Approximately 85% of my time has been dedicated to research and
15% to teaching, including the supervision of research students, tutoring, lab demonstration and marking.


Throughout my research career, I have taken initiatives to advance research through combination of different disciplines and have initiated extensive collaborations across interdisciplinary fields. I have published my research work with more than 28 different research groups, including computational physicists/chemists, material
scientists, biologists, material engineers and code developers. These diverse collaborations have enabled me to understand material properties at the atomic level from different prospective.

Computational Packages:


1. More than ten years experience in DFT calculations using Quantum
Mechanics by means of Vienna Ab-intio Simulation Package (VASP)
2. Experience in using broad spectrum of Australian and Swedish
supercomputing resources
3. Experience in Unix/Linux platform

Emmanuel Igumbor

Dr Emmanuel Igumbor is an experienced Postdoctoral Fellow with a demonstrated history of working in the higher education industry. Skilled in Materials Science, Physics, Applied Mathematics, Statistical Data Analysis, and Computational Physics. Strong research professional with a Bachelor of Science-BSc focused in Mathematics and Statistics, Master of Science-MSc focused in Theoretical Physics and Doctor of Philosophy - PhD focused in Physics from University of Pretoria.


Dr Igumbor is versed in using computational codes including VASP MedeA, CASTEP, material studio and quantum espresso as well as great programming skills.


Dr Igumbor interest is in R&D, T&D, science and technology, higher education, numerate science, data analysis as well as providing consultancy services to industries.

Asif Iqbal

Demonstrated experience in using Density functional theory (DFT) & Molecular dynamics (MD) • Thorough understanding of modeling and designing materials • Sound understanding of material science, electrochemistry, Transition metal chemistry • Excellent technical writing skills • Keen to apply technical and management skills to an industry role

About my educational background, I have recently completed PhD in the area of storage devices (batteries) by using computational techniques.

I have worked on different projects e.g., Polymer materials for Battery applications, disordered porous materials (MOFs), and condensed matter physics (Graphene metal interaction). Now, I am looking to apply computational techniques to other projects and learn new techniques.

Prafulla Jha

Key Words: Density Functional theory, Bioconjugated Nanostructures, Materials at Extreme Conditions, Low Frequency Raman Spectroscopy.

 

The research activity Prof. Prafulla K Jha includes numerical modeling of diverse properties of materials (solids, organic molecules, and polymers); state-of-the-art first principle theories are implemented to study equilibrium atomic configurations, electron energy structure and different kinetic coefficients of materials. Research includes density functional theory and molecular dynamics studies of the equilibrium atomic configurations of molecules, polymers, Solids and nano-structured materials. Prof. Jha has recently added two new areas: Drug design and Materials at extreme conditions for geophysical implications. Predicted quantities relate to electrical transport, optical, and magnetic properties of materials which are compared with the results of experimental studies. We use both commercial and open-source software for modeling and simulations in different areas related to material science. Research of Prof. Jha in computational materials science, in collaboration with experimental and technological groups in CCMMP, provides excellent skills in the field of material science.

Parvathi Krishnakumar

During my PhD, I have worked on hydrated clusters of many carboxylic acid molecules to study structure, stability and spectral properties of the acid molecules, at molecular level, applying first principle based electronic sturcture methods. I have carried out Molecular Dynamics Simulation based on Atom Centered Density Matrix Propagation (ADMP) method to decide an input geometry of a hydrated cluster for more accurate calculations. This method was very useful for large size hydrated clusters as common optimization techniques have initial value problem. Based on a large volume of skilled work, I could develop a non-thermodynamic route to predict pKa value of an acid molecule. I have also carried out large scale calculations to study photo-physical properties of a few organic dye molecules in host-guest environment, to analyze in-house experimental results and to provide deeper insights into molecular interactions.
 

Josip Lovrić

I finished my PhD 2 years ago in Atmospheric Chemistry.
I am expert in classical and ab initio molecular dynamics. Also with experience in QM/MM methods.
I am highly skilled in GROMACS and CP2K. I am also familiar with Gaussian. Programming in C/C++, Python, BASH.

Arnab Majumdar

I, Arnab Majumdar, am a Postdoctoral Research Fellow in the Dept. of Physics and Astronomy at Uppsala University, Sweden. I completed my PhD studies at the University of Saskatchewan, Canada, in computational materials science in August, 2018. My research deals with the determination of various properties, namely electronic, structural, thermal, mechanical, magnetic, optical, etc. of novel materials at extreme conditions. All the calculations are done using first principles calculations invoking Density Functional Theory (DFT) and Molecular Dynamics (MD) based Quantum chemistry software for example, VASP, SIESTA and Quantum ESPRESSO.


My particular area of interest is to predict structures and novel properties of high pressure and 2D materials. With regards to
technical skills, I am adept at coding using FORTRAN and Python, and have used MPI for running scheduled jobs on Linux-based HPC centers. I even have a brief experience in coding with the Gaussian code under the guidance of Prof. Viktor Staroverov, during a project I had undertaken at University of Western Ontario during my graduate studies. Owing to my exposure to using ab initio quantum chemistry codes, I am confident that working in a highly competitive research environment like yours will give me the opportunity to learn many new concepts as well as contribute by applying the skills I have acquired from my experience. The opportunity to work in tandem aligns with my aspiration to apply a combined skill of quantum mechanics and computation at an industrial level. My list of publications provides testimony to my ability of working competently and harmoniously in a group as well.

Mohsen Modarresi

My name is Mohsen Modarresi and working as Assistant Prof. in department of Physics, Ferdowsi University of Mashhad. I see your webpage and inviting for industry consultation. I have a PhD in computational Solid State Physics and passed two postdocs in Izmir Institute of Technology and Linkoping University in the last three years. My computational experience is with with ab-initio simulations code especially Quantum Espresso and SIESTA for 10 years in simulation of nano-structures. Additionally in the last three years I worked with Gromacs for simulation of large scale polymer matrix. I have a good programing background in Matlab and Fortran languages.


https://scholar.google.nl/citations?user=aHQKuDYAAAAJ&hl=nl&oi=ao
https://www.researchgate.net/profile/Mohsen_Modarresi2

Tomaž Mohorič

Physical chemist with a passion for science and problem-solving. I have diverse and rich experience ranging from the academic research in the area of liquid physics, to the pharmaceutical R&D and more recently, the use of chemoinformatics in predictive toxicology.

Abdulmujeeb Onawole

Abdulmujeeb Onawole is a Computational Chemist at the Gas Processing Center, Qatar University. He had his master’s degree in Chemistry at the King Fahd University of Petroleum and Minerals, Saudi Arabia in 2017 and had his Bachelor’s degree in Pure and Applied Chemistry at Ladoke Akintola University of Technology, Nigeria in 2011. His research interests include the application of computational techniques to drug discovery, oilfield chemistry and corrosion science.

Estelina Silva

My specialization consists in performing Density Functional Calculations and Many-body perturbation theory (GW) on bulk and nanosystems (pristine and doped), to study respective structural and electronic properties (i.e: ferroelectrics, halide perovskites, graphene-type materials, sesquioxides, sesquichalcogenides). Moreover during my PhD (University of Bath, UK) I have performed computational studies on materials where temperature-induced phase transitions occur, and by which lattice dynamics methodologies are essential for understanding the thermal properties of crystalline solids at finite temperatures.
Currently I am a Marie Skłodowska-Curie Individual Fellowship (MSCA-IF) at the Instituto de Diseño para la Fabricación y Producción Automatizada (IDF), Universitat Politècnica de València, (UPV), Spain, working with researchers at the Extreme Materials (EXTREMAT) group. My work mainly consists in performing computational modelling to study minerals that are subject to extreme conditions of pressure .

Programming skills: Fortran 90, C and Python

Scripts: Bash, awk and Python

Density Functional Theory Codes:

           Plane-waves: ABINIT, Quantum Espresso, VASP, Questaal

           Gaussian basis-sets: NWchem, Orca

Many-body Perturbation codes: ABINIT, Questaal, VASP


 

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