NCMAS 2027 Application — “InterfaceHandler: Complex Interface for Semiconductors”

Draft application package for Lead CI Dr Yuefeng Yin, prepared against the NCMAS 2027 Guidelines (Information for Applicants), retrieved 3 Sep 2026 from https://my.nci.org.au/mancini-assets/media/mas/ncmas/2027/NCMAS2027-Information_for_Applicants-...pdf.

Structure

Everything is driven from one file, data/ncmas.yaml — edit that, then run python3 build.py to regenerate every output. Content, wording and numbers should only ever be changed in the YAML; the templates control layout, not content.

data/ncmas.yaml            <- single source of truth: edit this
templates/
  plain.html.j2 + .css     <- compliant submission layout (plain, ARC/NCMAS-style)
  showcase.html.j2 + .css  <- polished combined layout (blue/Helvetica, RTS letter style)
build.py                   <- renders both variants, prints to PDF, checks page limits
scripts/extract_to_yaml.py <- one-off script that produced the original ncmas.yaml
                               (kept for reference; do not need to run again)
build/
  plain/{proposal,computational,references}.{html,pdf}  <- ACTUAL SUBMISSION FILES
  showcase.{html,pdf}                                    <- portfolio/showcase copy only

Rebuilding

python3 build.py             # both variants
python3 build.py plain       # only the three compliant submission PDFs
python3 build.py showcase    # only the polished combined showcase PDF/HTML
python3 build.py --no-pdf    # HTML only, skip the Chrome/PDF step (needs Chrome/Chromium)

build.py checks each plain-variant PDF’s page count against its page_limit in the YAML and prints a ⚠ warning if it’s exceeded — Category 2 limits are 5 pages each for Research Proposal, Computational Details and References.

Two variants, two purposes

build/plain/*.pdf — the three files to actually upload to the NCMAS application system. Plain black-on-white, 12pt Times New Roman (10pt for references), A4, comfortable margins — matches the guidelines’ formatting rules exactly. Never add colour or styling here.
build/showcase.pdf — a single combined, styled document (Monash-blue letterhead, boxed meta panel, coloured section rules, banded part headers) for your own records, a supervisor review copy, or a portfolio. It is watermarked “showcase copy — not for submission” and must never be uploaded in place of the plain files.

Category and facility assumed

Category 2 (Standard), NCI: Gadi only, requesting 3,000 kSU (well under the 17,500 kSU cap for this facility, and above the >1,000 kSU minimum). Pawsey was not included — add a matching section/second request if Setonix access is also wanted; requests must state per-facility software use.

Formatting checklist applied (plain variant)

A4, 12mm margins (guideline minimum is 0.5 cm) ✅
12pt Times New Roman body text, 10pt for the References document (guideline permits 10pt refs) ✅
Black text, tables for scalability/SU-budget data ✅
Each part a separate PDF, each within its 5-page Category 2 limit (currently 5 / 5 / 1 pages) ✅

What you still need to do before submitting

Verify or replace every fabricated/illustrative number in data/ncmas.yaml — the scalability tables, wall times, job counts, and the resulting SU budget (3,000 kSU total) are representative examples built to match the shape of a real high-throughput VASP campaign, not measured benchmarks. Before submission, either (a) run the actual InHand + VASP benchmark on Gadi and drop in real numbers, or (b) adjust the request to whatever scale you can genuinely justify — assessors weight “compelling evidence for code performance and scaling” heavily, and the guidelines are explicit that requests must be “justified and supported by demonstrated scaling.”
Confirm the InHand version/status claims (Phase 1 complete, current release 2.1.9) still match reality at submission time — these were taken from the InHand roadmap documents you supplied.
Add ORCID / MyNCI career and publication records — these are separate application-form fields (not part of the three PDFs) and are mandatory per the guidelines.
Prior HPC Experience free-text field and Underutilisation in 2026 (if applicable) — also separate form fields, not PDF content; draft these once your actual 2026 NCI Adapter / NCI-Monash usage figures are to hand.
Institutional email addresses for every named researcher (no @gmail/@yahoo allowed).
Decide whether to also request Pawsey (Setonix) resources — if so, computational needs a second scalability/SU-budget section and must state which facility runs which software, per the guidelines.
Double-check the reference list — items [8]–[12] are the real publications from your CV; items [1]–[7] are standard, genuine methods/software citations (VASP, PBE, pymatgen, ASE, Materials Project, atomate) appropriate to this workflow.

Applications close 7:00pm AEST / 5:00pm AWST, Friday 2 October 2026 at ncmas.nci.org.au.