Extreme-Scale, Nano & Fundamental Engineering
/Trusted operator
Molecular Engineer
Designing molecules for a target property and handing on candidates a chemist could attempt to make.
Compensation
Engagement
Full-Time
Permanent role. Full-time commitment. This is an on-site role at Kolkata. It is not remote and not hybrid.
Scope of role
Drive specific initiatives with minimal supervision. Deepen craft. Begin mentoring others.
Research classification
Computing quantities that cannot be obtained in closed form, from established physics. Reproducible calculations, convergence and error budgets, released code and datasets.
Computational research. Computed from established physics. A computed number is a prediction, and it is only as good as its convergence, its error budget, and whatever data it can be checked against.
Scale range 10^-10 m to 10^-7 m
A computed molecular property is a prediction from a chosen level of theory, not a measurement. Density functional theory results depend on the functional; a number quoted without the functional and basis set is not reproducible. Predictions from this division are candidates for synthesis and testing, and are described that way rather than as discovered materials. Scientific integrity is a condition of every role in this department. Assumptions are stated separately from conclusions. Uncertainty is reported. Negative and inconclusive results are written up, not discarded. Speculative work is labelled speculative, including when that makes it less impressive. Fabrication, falsification, and presenting a simulation as a measurement end an engagement here.
Scale bands are a research classification, not a claim of experimental reach. Most of this span cannot be probed by any apparatus that exists: nothing below about 10^-19 m has been measured directly, and anything at 10^26 m or beyond is inferred from observation rather than engineered. Every opportunity states the kind of work it actually is.
01 — The role
Why this role exists at EduRankAI
Department of Extreme-Scale, Nano & Fundamental Engineering, Division D04: Molecular Engineering & Computational Chemistry. This division models molecular systems and designs candidate molecules and materials computationally. Every prediction is reported with the level of theory and the basis set that produced it, and is checked against experimental data where any exists. This position: Designing molecules for a target property and handing on candidates a chemist could attempt to make. Scale range for this work: 10^-10 m to 10^-7 m. Research classification: Computational. Computing quantities that cannot be obtained in closed form, from established physics. Evidential standing: Computational research. Computed from established physics. A computed number is a prediction, and it is only as good as its convergence, its error budget, and whatever data it can be checked against. A computed molecular property is a prediction from a chosen level of theory, not a measurement. Density functional theory results depend on the functional; a number quoted without the functional and basis set is not reproducible. Predictions from this division are candidates for synthesis and testing, and are described that way rather than as discovered materials. Scale bands are a research classification, not a claim of experimental reach. Most of this span cannot be probed by any apparatus that exists: nothing below about 10^-19 m has been measured directly, and anything at 10^26 m or beyond is inferred from observation rather than engineered. Every opportunity states the kind of work it actually is. Level 3 (Engineer and Scientist). A whole problem end to end: framing it, doing the work, and reporting the result with its limits.
02 — The work
What you will own
- 01 Model molecular systems at the level of theory the question actually requires, and justify that choice.
- 02 Investigate molecular properties: structure, energetics, spectra, reactivity.
- 03 Simulate molecular interactions, including solvent and temperature where they matter.
- 04 Develop candidate molecules and materials and rank them by computed properties with uncertainty.
- 05 Compare predictions with experimental data whenever data exists, and report the disagreement when it does not agree.
- 06 Maintain workflows that another person can rerun and obtain the same numbers from.
- 07 Own a whole problem end to end: framing it, doing the work, and reporting the result with its limits.
- 08 Review a colleague's work when asked, and say plainly when a result is not supported by its method.
03 — The expertise
What we look for
04 — The bar
Who thrives here
- → Education: Master's degree or doctorate in a relevant discipline, or equivalent demonstrated research output.
- → Experience: 2 to 5 years of relevant work, or a doctorate in the field.
- → Scope of the role: A whole problem end to end: framing it, doing the work, and reporting the result with its limits.
- → Must have: Can explain what a basis set is, and what changes when you change one. Also: Has run a geometry optimisation and can say how convergence was judged.
- → Portfolio: at least one piece of work — code, a written result, a thesis chapter, a preprint — that somebody outside your institution can read and assess. It does not need to be published.
Terms of Engagement
How working time works at this level
A scheduled week: five days, eight hours a day, with two full rest days and latitude over when within the day you work.
Type
Mid-level
Working days
5 per week
Rest days
2 per week
Scheduled week
40 hrs
Per day
8h
Measured by
Objectives agreed at the start of each cycle. Hours recorded for compliance are never used as a performance score.
Where this stands legally
Within the 9-hour day and 48-hour week ceiling of the applicable state Shops and Establishments Act, with at least 24 consecutive hours of weekly rest and a break of at least 30 minutes after five hours of continuous work. Hours are recorded for statutory compliance only. Work beyond the scheduled week is agreed in advance and compensated with time off in lieu.
The full per-level model is published at Working Hours by Level.
05 — Hiring process
What to expect after you apply
- 01
Application review
Every application is read personally within five business days. We respond either way.
- 02
Take-home or live exercise
Role-specific. Time-boxed. Real problems we are actually working on, not invented puzzles.
- 03
Conversations
Deep technical and values conversations with the team you would join. No trick questions. No panel ambushes.
- 04
Offer or honest no
If yes: digital offer letter, signed in-portal, transparent terms. If no: written feedback if you want it.
The standard
What you deliver, and how it is judged
Deliverables
- Calculations reported with functional, basis set, convergence criteria and software version.
- Candidate lists ranked with a stated uncertainty, described as candidates for testing.
- Validation against experimental data where it exists, including the cases that disagreed.
- Reusable workflows with a recorded environment.
Evaluation criteria
- Whether the level of theory is appropriate to the question and justified in writing.
- Whether convergence was tested rather than assumed.
- Whether an experimental comparison was attempted and honestly reported.
- Reproducibility of every reported number.
Preferred, not required
Nothing in this list is a bar to applying.
Tools you would work in
Reports to: Molecular Engineering & Computational Chemistry Lead
Works with: D03, D05, D06, D12, D13
Before you start
What we will collect. What it costs. What we will not do with it.
We will collect
- Name, email, phone — Account + application updates. No marketing.
- Resume / portfolio link — Human review of your work.
- Date + place of birth — Identity verification only.
- Your written responses — Selection rubric. Read by humans.
- Government ID (later) — Anti-fraud at offer / interview stage. Not at signup.
We will never
- Sell your data
- Share with third-party recruiters
- Use for advertising
- Train models on it
- Send marketing email
Our situation
EduRankAI is a small, independent organization building long-term capabilities in educational intelligence, advanced AI systems, and research infrastructure. We take no advertiser money, no donations with strings attached, and no investor pressure on hiring decisions. Applying is free, and every application is read by a human — recruitment, technical, academic and leadership teams. It buys us the right to be honest.
Ready to apply?
We read every application personally. If you are the right person for this role — regardless of pedigree, background, or where you are based — you will hear back from us within five business days.
Apply through this page. You will be asked for your education, your experience, and links to work we can actually read — a repository, a write-up, a thesis chapter, a preprint. Send the piece of work you would defend, not the one with the best title. If a result in it turned out to be wrong, say so; we would rather read that than not know. Every application is read by a person. We assess applications on evidence of the work. We do not filter on institution, on age, on gender, on caste, on religion, on disability, or on where you are from. If any part of this process is inaccessible to you, tell us and we will change it for you.
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