Job Description:

About Fuels & Low Carbon Technology: Fuels and Low Carbon Technology is s team of over 300 technologists, scientists and engineers who provide cutting edge solutions to support bp's Fuels, Refining, Bioenergy and Hydrogen businesses. We also provide support across Technology in Innovation Management, Modelling, Digital Sciences and our academic research programmes.

You will work with

You will be part of the Multi Scale modelling team based in India. This is bp's core team for advanced scientific modelling capabilities - computational fluid dynamics, finite-element structural analysis, and general multi-physics modelling - supporting all bp's current and future businesses. The team solves complex problems through science-based modelling from molecular level to system scale for accelerating technology development, improving component reliability and lowering cost.

Molecular modelling and computational simulations are indispensable tools for gaining a deeper understanding of the underlying mechanisms, predicting chemical behaviour, and accelerating the discovery of new materials and processes. Techniques, ranging from quantum mechanics to molecular dynamics simulations, allow us to investigate the structural, electronic, and kinetic aspects of reactions.

Accountabilities:

• Work with multi-functional teams to understand scientific problems, and develop and implement computational models and algorithms to solve them.
• Analyze and interpret large-scale data sets.
• Stay updated with the latest advancements in computational science and related subject areas.
• Structure optimization: Determining the most stable arrangement of atoms in a molecule or complex system, considering factors such as bond lengths, angles, and dihedral angles. Methods: QM (e.g., DFT), MM, MD.
• Free energy calculations: Evaluating the free energy profiles of chemical reactions involved in electrochemical processes, such as oxidation-reduction reactions or electrode-electrolyte interactions. Methods: QM, thermodynamic integration, enhanced sampling (umbrella sampling, meta-dynamics).
• Electron transfer: Investigating the mechanisms and rates of electron transfer reactions, including electron transfer pathways, transition states, and activation energies. Methods: Time-dependent DFT, transition state theory.
• Solvation effects: Studying the influence of solvents on electrochemical reactions by considering solvent molecules' interactions with the solute species and their impact on reaction kinetics and thermodynamics. Methods: Implicit, explicit solvent models, MD, QM/MM
• Redox properties: Predicting and analysing the redox potentials and electron affinities of molecules, ions, or complexes, which are crucial for understanding their electrochemical behaviour. Methods: QM
• Adsorption and surface phenomena: Simulating the adsorption of molecules or ions on electrode surfaces, examining the structure and stability of adsorbates, and evaluating their impact on electrochemical processes. Methods: QM, MD, Monte-Carlo.
• Design of electrochemical materials: Guiding the development of new materials for electrochemical applications by screening and optimizing molecular structures or complexes with desired electrochemical properties. Methods: high-throughput screening, machine learning, QSPR.

Experience / Capabilities:

• PhD or equivalent experience in computational science, physics, mathematics, computer science or related field, or MS/BS/MEng/BEng with sufficient experience.
• Proven experience as a computational scientist or similar role.
• Knowledge of high-performance computing, data analysis, and scientific programming.
• Strong understanding of mathematical and statistical models.

We will ensure that individuals with disabilities are provided reasonable accommodation to participate in the job application or interview process, to perform crucial job functions, and to receive other benefits and privileges of employment. Please contact us to request accommodation.

About bp: Our purpose is to deliver energy to the world, today and tomorrow. For over 100 years, bp has focused on discovering, developing, and producing oil and gas in the nations where we operate. We are one of the few companies globally that can provide governments and customers with an integrated energy offering. Delivering our strategy sustainably is fundamental to achieving our ambition to be a net zero company by 2050 or sooner!

Travel Requirement
Up to 25% travel should be expected with this role

Relocation Assistance:
This role is eligible for relocation within country

Remote Type:
This position is a hybrid of office/remote working

Skills:
Agility core practices, Analytical Thinking, Bioprocess Design, Catalysis (Inactive), Chemical kinetic modelling, Communication, Creativity and Innovation, Curiosity, Experimental Design, Group Problem Solving, Industry technology knowledge, Intellectual Asset Management, Life cycle and circularity, Multi-physics modelling, New process technology scale-up, Novel process development, Pilot and demonstration plant operation, Presenting, Process Safety Engineering, Science and Technology Leadership, Scientific publication, Talent Matching, Technoeconomic evaluation of processes, Thermophysical modelling, Thought Leadership

Legal Disclaimer:

We are an equal opportunity employer and value diversity at our company. We do not discriminate on the basis of race, religion, color, national origin, sex, gender, gender expression, sexual orientation, age, marital status, socioeconomic status, neurodiversity/neurocognitive functioning, veteran status or disability status. Individuals with an accessibility need may request an adjustment/accommodation related to bp's recruiting process (e.g., accessing the job application, completing required assessments, participating in telephone screenings or interviews, etc.). If you would like to request an adjustment/accommodation related to the recruitment process, please contact us.

If you are selected for a position and depending upon your role, your employment may be contingent upon adherence to local policy. This may include pre-placement drug screening, medical review of physical fitness for the role, and background checks.