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DESCRIPTION OF INTERN ASSIGNMENT
Intern assignment
Describe the responsibilities and activities related to the Assignment. If relevant, relate these activities to the requirements for completion of the Internship as set by the Institute of Education. Include details of department where the Internship will be carried out.
6-months MSC project internship based at ETCA
Title : Towards the Next Generation of Hybrid Second Order Group Contribution Frameworks for the Prediction of the Melting Point and Viscosity of Heavy and Branched Alkanes
Goals and objectives
Accurate prediction of melting point and viscosity remains challenging for heavy and highly branched alkanes due to the strong influence of molecular architecture, conformational flexibility, and intermolecular interactions. To address this need, a next-generation of Group Contribution framework for predicting the melting point and viscosity of heavy and branched alkanes may be formulated by augmenting classical first- and second-order structural groups with DFT-derived molecular descriptors and machine-learning corrections. The GC component captures the contribution of molecular fragments and branching patterns, while DFT quantifies electronic and conformational features governing intermolecular forces, crystal lattice stability, and liquid flow behavior. Machine learning algorithms are then used to learn higher-order interactions between structural groups and quantum-mechanical descriptors, providing correction terms to the classical GC predictions. Such a DFT-ML-GC hybrid methodology retains the simplicity, interpretability, transferability and extrapolation capability of second order group contribution approaches while significantly enhancing prediction accuracy for complex hydrocarbon systems beyond the range of available experimental measurements.
Deliverable:
MSc thesis and final presentation
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DISCLAIMER:
Core Responsibilities
The intern will develop a hybrid DFT-ML-GC methodology to predict the melting point and viscosity of heavy and branched alkanes. The assignment involves conducting research at the ETCA and delivering an MSc thesis and final presentation.
Requirements
The candidate must be an MSc student seeking a project internship. The role requires knowledge of molecular modeling, group contribution methods, and machine learning techniques.
About Shell
Industry: Automotive
Company size: 501-1,000 employees
Jiffy Lube International recently named M.C.,LLC "Franchisee of the Year"for the organization’s leadership and dedication to the Jiffy Lube brand. The esteemed "Franchisee of the Year" award is presented annually to the franchisee who best exemplifies the values and attributes that are core to the Jiffy Lube brand, including commitment to their customers through the development and growth of their employees, appearance of both the interior and exterior of their service centers, and demonstrated operational excellence. "M.C., LLC not only delivers an exceptional customer experience, they have also taken on leadership roles by dedicating resources toward piloting new programs, products and services on behalf of the Jiffy Lube system of more than 2,000 service centers,” said Steve Ledbetter, president of Jiffy Lube International. M.C., LLC was instrumental in working with ride share partners to develop a program that was implemented nationwide. A Jiffy Lube franchisee for several decades, M.C., LLC owns and operates service centers in several markets including San Francisco, Boston, Providence, Portland and Los Angeles. The entity is a proven leader within the Jiffy Lube network,continuously investing in industry innovation while upholding the highest standards among its service centers across the country. “We are proud to represent the brand and while we currently have 95 Jiffy Lube service centers, we are continuing to grow our footprint,” said Marc Fanticola, president of M.C., LLC. “The entire M.C., LLC team consistently strives to provide the best possible service to our customers every day, every visit and we look forward to continuing to serve those drivers who depend on us to keep their vehicles on the road.“ About Jiffy Lube Jiffy Lube International, Inc. (“Jiffy Lube”),with more than 2,000 franchised service centers in North America, serves approximately 20 million customers each year. Jiffy Lube pioneered the fast oil change industry in 1979 by establishing the first drive-through service bay, providing customers with fast, professional service for their vehicles. Headquartered in Houston, Jiffy Lube is a wholly owned, indirect subsidiary of Shell Oil Company. Visit www.JiffyLube.com to learn more about Jiffy Lube and vehicle care. About Shell Oil Company Shell Oil Company is an affiliate of the Royal Dutch Shell plc, a global group of energy and petrochemical companies with 90,000 employees in more than 80 countries. We deliver a diverse range of energy solutions and petrochemicals to customers worldwide. These include transporting and trading oil and gas, marketing natural gas, producing and selling fuel for ships and planes, generating electricity and providing energy efficiency advice. We also produce and sell petrochemical building blocks to industrial customers globally, and we are investing in making renewable and lower-carbon energy sources competitive for large-scale use. In the U.S., we operate in 50 states and employ more than 20,000 people delivering energy in a responsible manner. For more information,visit www.shell.us. com