About the Institute

        The Indian Institute of Petroleum and Energy (IIPE), Vishakhapatnam, is an autonomous institute under the Ministry of Petroleum and Natural Gas, Govt. of India and is an 'Institution of National Importance at par with IITs. Vishakhapatnam (Vizag), the City of Destiny, is a beautiful coastal city at the edge of Eastern Ghats located in the south-eastern state of Andhra Pradesh, India. It is known for its beaches, hill stations, ancient temples, museums, and parks.

About the Department

         The Department of Humanities & Sciences (H&S) at IIPE has started journey along with the department of Petroleum and Chemical Engineering in 2016 aiming to form bridge between fundamental and practical knowledge. The department plays a pivotal role in the academic curriculum offering both core and elective courses for the UG (B.Tech.) and Doctoral (Ph.D.) programme. The department has been actively involved in setting up an advanced research facility that house various sophisticated equipment and characterization tools for carrying out cutting-edge research. The research focuses of H&S are Electrocatalyst, Alternative Energy Materials, Device & Sensor fabrication, Bioinformatics-Structural biology, Sparse Representation Theory, Numerical Analysis etc. The department provides a scientific platform to the young engineer and research students to fulfil their research endeavour. The faculty fraternity acts as students’ mentor, guide and nurture them to understand the balance between Life-Technology-Society and Humanity.

Organizers

The Indian Institute of Petroleum and Energy, Visakhapatnam, AP, India, jointly with the Gdańsk University of Technology, Poland, is organizing a hybrid workshop on “Electronic Structure Calculations and Visualisation with Molecular Nodes” from 30th July to 3rd August 2024.

The workshop plans to cover ground-state electronic structure via advanced techniques such as Density Functional Theory (DFT). DFT has become an important tool in the area of materials research to understand the properties of materials, complement/understand experimental results, and design new materials.


Who can participate

Motivated Postgraduate students, Research scholars, Postdoctoral fellows and Faculty of chemistry and allied areas who wish to pursue research in Electronic Structure Calculations.

Maximum number of Participants ~60

NOTE:

  • Payment link will be sent through an email to the selected candidates after successful registration.
  • Accommodation will be provided based on availability at IIPE Hostels (Rs 100/- per day on sharing basis for students)

About Event

The morning sessions of the workshop will consist of lectures on the basic principles and methodologies followed by research talks (covering experimental and theoretical aspects) showing their applications. The afternoon sessions will consist of hands-on tutorials where the participants will do simple calculations using the open source codes. Further, we focus on scientific illustrations via Blender software with the recent concept of molecular nodes.


Registration Fee including GST

5000

Faculty

$ 60

3000

Post Doc

$ 40

2200

Ph.D Students

$ 30

1800

M.Sc. Students

$ 25


Topics to be covered

Ground State Quantum Mechanics

Geometry Optimisation

Potential energy surface

Intrinsic reaction coordinate Molecular Orbitals and its visualizatation

Quantum Dynamics Potential energy surface Reaction Mechanism

Excited State Quantum Mechanics

IR/Raman Spectra TDDFT

Excited State Optimistation Excited state PES

VisualisationOn Open Source Software’s/Codes


Chief Patron

Prof.Shalivahan

Director, IIPE Visakhapatnam

Patron

Prof Vijaya Kumar Kopparapu

Professor, Dept of Earth Sciences
Indian Institute of Petroleum & Energy, Visakhapatnam

Prof. Maciej Baginski,

Dept of Pharmaceutical Technology & Biochemistry
Gdansk University of Technology, Poland

Organizing Committee


Conveners


Dr. Ch Gupta Chandaluri,

Assistant Professor, Chemistry, IIPE Visakhapatnam

Prof. Jacek Czub,

Head of the Department of Physical Chemistry

Dr. Subrahmanyam Sappati

Assistant Professor (Tenure track), DPTB
Co- Convener

Members


Dr. Sridhar Palla

Assistant Professor, IIPE Visakhapatnam

Dr. P. Aparoy

Associate Professor, IIPE Visakhapatnam

Speakers

Prof. T. P. Radhakrishnan

University of Hyderabad India

Prof. Maciej Bagiński

Gdańsk University of Technology Poland

Prof. Debashree Ghosh

IACS-Kolkata India

Dr. Miłosz Wieczór

Gdańsk University of Technology Poland

Dr. Naveen

Dandu University of Illinois Chicago USA

Dr. Subrahmanyam Sappati

Gdańsk University of Technology Poland

Dr. Tapta Kanchan Roy

Central University of Jammu India

Dr. Rajagopala Reddy Seelam

Central University of Rajasthan India

Dr. Nagaprasad Reddy Samala

Bar-Ilan University Israel

Dr. P. Aparoy

Associate Professor, IIPE Visakhapatnam

Dr. Ch Gupta Chandaluri,

Assistant Professor, Chemistry, IIPE Visakhapatnam

Dr. Sridhar Palla

Assistant Professor, IIPE Visakhapatnam

Mr. Rafeeq

Mavoor SCEINTIFIC ILLUSTRATOR, SCIDART ACADEMY

Dr. Amit Sahu

Université de Bourgogne France

Dr. Mateusz Kogut

Gdansk University of Technology Poland

Event Venue

Indian Institute of Petroleum & Energy

Visakhapatnam, Andhra Pradesh, India

భారతీయ పెట్రోలియం మరియూ ఊర్జా సంస్థాన్ విశాఖపట్నం, ఆంధ్రప్రదేశ్ - 530003

Places to Visit in Visakhapatnam


Visakhapatnam, “A gem of South India”, also commonly known as Vizag, is one of the oldest port cities in the country. Situated in the heart of Andhra Pradesh, Visakhapatnam is known for its picturesque beaches and serene landscape, as well as a rich cultural past, which makes it an ideal spot for a fantastic coastal vacation. It is know as “City of Destiny”. Bheemili Beach, Rushikonda Beach, Yarada Beach, RK Beach (Ramakrishna Beach), Kailasagiri, Dolphin's Nose Hill, Simhachalam Temple, Lumbini Park, Araku Valley,INS Kursura Submarine Museum,Indira Gandhi Zoological Park,Sea Harrier Museum.


Contact Us

Event Organizer

Dr. Ch Gupta Chandaluri

Email Us

escvm_2024@iipe.ac.in

Call Us

+91 - 9951313515