Novel computational methods for materials design

Italian Ministry of Education, University and Research; Italia; On-site; EUR 42,000 - 60,000; Full time

Job summary

Università di Padova - Dipartimento di Fisica e Astronomia DFA seeks researchers for a project integrating ab-initio DFT with machine learning and neural networks. The workflow will be tested on two case studies involving materials with reduced periodicity, including AgBiS2 and two-dimensional hybrid perovskites to predict NMR spectra.

Eligibility includes degrees, PhD, specialization certificates, and a scientifc-professional curriculum.

Responsibilities

• Selection based on qualifications, scientific-professional curriculum, scientific productivity and an interview by a Selection Committee.

Job description

Organisation/Company Università di Padova - Dipartimento di Fisica e Astronomia DFA Research Field Physics Researcher Profile Recognised Researcher (R2) Leading Researcher (R4) First Stage Researcher (R1) Established Researcher (R3) Application Deadline 12 Nov 2026 - 23:59 (UTC) Country Italy Type of Contract To be defined Job Status Not Applicable Is the job funded through the EU Research Framework Programme? Not funded by a EU programme Is the Job related to staff position within a Research Infrastructure? No

Offer Description

This project aims to develop a computational workflow that integrates ab-initio density functional theory (DFT) with machine learning (ML) and neural networks (NN) approaches. The workflow will be applied to two case studies involving materials with reduced periodicity: (i) the investigation of optoelectronic and vibrational properties of AgBiS2 and related cation-disordered compounds, and (ii) the prediction of realistic nuclear magnetic resonance (NMR) spectra in two-dimensional hybrid perovskites

- for qualifications 25 points: degree, PhD, specialization diploma, certificates of attendance of post-graduate specialisation courses (obtained in Italy or abroad);
- for the scientific-professional curriculum 20 points: documented research activity carried out at public and private entities with contracts, scholarships or assignments (both in Italy and abroad) relevant to the research activity subject of the announcement;
- for scientific productivity 25 points: quantity and quality of scientific publications, including master's or single-cycle master's or doctoral theses;
- for interview 30 points.

• Italy

Eligibility of fellows: country/ies of residence:

• International

Eligibility of fellows: nationality/ies:

• International

Selection process

The selection is carried out through the comparative evaluation of qualifications, scientific-professional curriculum, scientific productivity and an interview by a Selection Committee appointed by the Director of the structure. The Selection Committee shall be composed of three effective members, including the Scientific Supervisor and/or the Tutor, and at least one substitute member.