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Extreme-Scale, Nano & Fundamental Engineering

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Computational Materials Scientist

The calculations: which level of theory, how convergence was tested, what the number is worth.

Mid Full-Time On-site — Kolkata, West Bengal, India Permanent

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

Computational Computational research Level 3 · Engineer and Scientist Materials & Advanced Matter →

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 10^0 m

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10-100 m 100 m 10100 m
Experiments reach here 3 bands no experiment reaches This role

A materials database entry computed by a high-throughput screen is a prediction, and screens are wrong at a rate that is measurable and should be reported. This division states, for every material it puts forward, whether the property was measured, computed, or inferred from a model trained on other materials. A predicted material is a candidate, not a discovery. 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 D06: Materials & Advanced Matter. This division discovers and models materials, builds materials-property datasets, and develops materials for engineering use. Its computational predictions are handed on as candidates for experimental validation, and it reports which of its materials have been measured and which have only been computed. This position: The calculations: which level of theory, how convergence was tested, what the number is worth. Scale range for this work: 10^-10 m to 10^0 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 materials database entry computed by a high-throughput screen is a prediction, and screens are wrong at a rate that is measurable and should be reported. This division states, for every material it puts forward, whether the property was measured, computed, or inferred from a model trained on other materials. A predicted material is a candidate, not a discovery. 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 Search for materials with a target property, computationally, and rank candidates with uncertainty.
  • 02 Model materials at the level the property requires: electronic, atomistic, or continuum.
  • 03 Build and curate materials-property datasets, with provenance recorded per entry.
  • 04 Develop materials toward an engineering application in another division, with the requirement stated first.
  • 05 Support experimental validation and report the cases where measurement disagreed with prediction.
  • 06 Relate structure to property to performance, and say where the chain of inference weakens.
  • 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

Can relate a crystal structure to at least one measurable property and explain the mechanism.Reads a phase diagram and can say what happens on cooling through a boundary.Has analysed real characterisation data — diffraction, microscopy or mechanical testing — and stated its uncertainty.Python for data analysis over a materials dataset.Reports whether a property was measured or computed, every time.PythonC++Scientific computing

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 relate a crystal structure to at least one measurable property and explain the mechanism. Also: Reads a phase diagram and can say what happens on cooling through a boundary.
  • 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

  1. 01

    Application review

    Every application is read personally within five business days. We respond either way.

  2. 02

    Take-home or live exercise

    Role-specific. Time-boxed. Real problems we are actually working on, not invented puzzles.

  3. 03

    Conversations

    Deep technical and values conversations with the team you would join. No trick questions. No panel ambushes.

  4. 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

  • Candidate materials with computed properties, uncertainty, and the method used.
  • Datasets with per-entry provenance: measured, computed, or model-inferred.
  • Validation reports including disagreements between prediction and measurement.
  • Structure-property-performance write-ups that name the weakest link in the chain.

Evaluation criteria

  • Whether provenance is recorded for every property.
  • Whether the model was tested on held-out data rather than on what it was fitted to.
  • Honesty about screening false-positive rates.
  • Usefulness of the output to the engineering division that asked for it.

Preferred, not required

Nothing in this list is a bar to applying.

Thermodynamics and kinetics of phase transformations.Experience with an electronic-structure or atomistic simulation package.Statistics sufficient to avoid over-reading a small sample.Familiarity with an open materials database and its known limitations.Machine learning applied to materials property prediction, with a held-out test set.Hands-on mechanical testing or metallography.Experience with a high-throughput screening pipeline.

Tools you would work in

DFT packagesPymatgen or an equivalent materials toolkitThermodynamic modelling softwareScikit-learn or PyTorch for property modelsData pipelinesGit

Reports to: Materials & Advanced Matter Lead

Works with: D04, D05, D07, D10, D11, D13, D14

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.

Full transparency policy Questions? Email us

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.

Mid Full-Time

Computational Materials Scientist

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