Positions
PhD, postdoc and permanent academic positions, gathered from the same sources as the events and reviewed before they appear. Always check the official advert before applying.
apply by
PhD Studentship in San Sebastian on hybrid DFT/Quantum computingPhD
The project focuses on developing hybrid methods combining SIESTA and IBM's QISKIT for quantum computing to treat correlated electrons within DFT frameworks. The student will work on condensed matter, nano, and biophysics problems using IBM quantum computers and HPC supercomputers, in collaboration with IBM Research in Zürich.
apply by
PhD position in ultrafast laser spectroscopy of liquid-phase chemical reactionsPhD
PhD student performing femtosecond laser spectroscopy in the HELIOS laser laboratory at Uppsala University to study charge dynamics in liquid-phase chemical reactions relevant to light-harvesting and bond activation. The student will develop novel femtosecond THz and optical spectroscopy infrastructure, design and analyze experiments on molecular charge distributions in catalysis, write scientific manuscripts, present at conferences, and collaborate with other groups.
apply by
PhD Position in Neural cDFT for Chemical SystemsPhD
Two fully funded 4-year PhD positions are available in the Cox Group at Durham University, starting in October 2027. The research focuses on neural classical density functional theory (cDFT) for chemical systems, specifically chemical separation and electromechanical behavior at the nanoscale, using machine learning and molecular simulation. Candidates should have a solid background in statistical mechanics, chemistry, physics, or materials science. Funding is available for UK fees; international students can discuss other options.
apply by
Postdoctoral position: Large-scale modeling of conformational changes in nucleic acidsPostdoc
Postdoctoral position (36 months) starting January 1, 2027 at IPPT PAN in Warsaw, Poland. Project extends GōMartini 3 from proteins to nucleic acids. The postdoc will develop, validate, and release the new model, applying it to large conformational transitions like DNA bending, folding, base pair opening, and nucleosome assemblies. Collaboration with Paulo C.T. Souza (ENS de Lyon) and Sharon Lover (CUNY). Requires experience in MD simulations, Martini 3, or nucleic acid force fields. Deadline: November 30, 2026. More info: http://pomalab.ippt.pan.pl/web/positions/index.html
apply by
Postdoctoral researcher in computational spectroscopy and battery materialsPostdoc
Postdoctoral position within the NaSPHERE consortium at MLU Halle and PTB Berlin, focusing on sodium-sulfur batteries with polymeric cathodes. The project investigates sodiation thermodynamics/kinetics and spectroscopic fingerprints (IR, Raman, XAFS, XPS) using DFT/TDDFT and interface dynamics modeling. Jointly supervised by Prof. Dr. Daniel Sebastiani and Dr. Pouya Partovi-Azar. Requires a PhD in Chemistry, Physics, or Materials Science, with a strong background in quantum chemistry, DFT, AIMD, and electrochemical energy storage.
apply by
Designing biochars to capture petroleum hydrocarbons from contaminated waters: from molecular mechanisms to production-scale materialsPhD
A PhD position at the University of Edinburgh, starting September 2027, funded through the E5 Doctoral Training Partnership. The project focuses on designing biochars to capture petroleum hydrocarbons from contaminated waters. It combines classical molecular dynamics simulations with adsorption experiments to elucidate molecular mechanisms, compute adsorption free energies, and guide the design of production-scale materials. The studentship is a CASE award with Carbogenics and includes two placements.
apply by
Faculty position in Chemistry and Materials at the Open University of IsraelPermanent
The Division of Chemistry at the Open University of Israel invites applications for a permanent faculty position from Senior Lecturer to Full Professor. Candidates should have outstanding research achievements in experimental, computational, or theoretical materials chemistry and materials science, and the potential to establish an internationally recognized independent research program. Application deadline: February 5, 2027.
apply by
PhD Position in Machine Learning and Electronic-Structure Theory for CO2 Photoreduction at TU MunichPhD
PhD position in the AI-Based Materials Science group at TU Munich, part of the e-conversion Excellence Cluster. You will develop automated computational discovery workflows for CO2 photoreduction using first-principles electronic-structure theory and machine learning (Bayesian optimization) to guide experimental synthesis of lead-free double perovskites. We seek a Master's graduate in physics, chemistry, or materials science with Python experience and interest in DFT/ML. We offer a 3-year funded PhD position (75% TV-L E13) in an international, interdisciplinary team.
no deadline
Assistant Professor of ChemistryPermanent
The Department of Chemistry at the University of Colorado Boulder invites applications for a tenure-track Assistant Professor of Chemistry. Areas of particular interest include quantum molecular science, such as electronic structure theory, molecular modeling, and quantum dynamics, as well as the application of machine learning to theoretical chemistry. Candidates should have a compelling vision for developing new theory and methods at the interfaces of quantum science, condensed phase and materials chemistry, catalysis, reaction dynamics, spectroscopy, or biophysical chemistry.
no deadline
Quantum Innovation FellowPostdoc
The Quantum Software Lab (QSL) at the University of Edinburgh is recruiting up to three Innovation Fellows to develop high-impact applications of quantum computing across key sectors, including healthcare, life sciences, materials, and manufacturing. Working on the QATCH programme, successful candidates will collaborate with leading researchers to deliver practical quantum computing solutions, support junior researchers, and contribute to funding. The positions are suitable for computational chemists interested in quantum computing.
no deadline
Theoretical Chemistry Postdoc position in Albuquerque, New Mexico, USAPostdoc
Theoretical Chemistry Postdoc position in Albuquerque, New Mexico, USA A postdoctoral position in theoretical and computational chemistry is open in the group of Prof. H. Guo at University of New Mexico. We are interested in physical and chemical processes on solid and liquid…
Full announcement
Theoretical Chemistry Postdoc position in Albuquerque, New Mexico, USA A postdoctoral position in theoretical and computational chemistry is open in the group of Prof. H. Guo at University of New Mexico. We are interested in physical and chemical processes on solid and liquid surfaces. The minimal requirements include a PhD degree in theoretical/computational chemistry. Experience in computational physics/chemistry is preferred. The initial appointment is for one year, but renewable upon mutual agreement. Yearly salary starting from $50,000 to $60,000 depending on experience. We work closely with top theoretical and experimental groups around the globe. Albuquerque is the largest city in New Mexico and near several national research facilities such as the Air Force Research Lab, the Sandia National Labs, and Los Alamos National Lab. It has a mild climate and ample opportunities to explore the “Land of Enchantment” and the Southwest. Please send CV with publication list and three recommendation letters to Prof. H. Guo, Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, NM 87131, USA. (Email: hguo@unm.edu). To join or leave the molecular-dynamics-news email list, go to: http://www.jiscmail.ac.uk/lists/molecular-dynamics-news.html
no deadline
Four Doctoral Positions in RIXS Theory and ExperimentPhD
Four fully funded PhD positions in RIXS theory and experiment are available at the University of Zurich, Stockholm University, and Paul Scherrer Institute. The project will develop a multi-level RIXS simulation toolkit within CP2K, combining linear-response TDDFT, wavefunction-in-DFT embedding, and quantum-computing interfaces. Research focuses on charge-transfer excitations in photochemical systems and insulator-metal transitions in vanadium oxides. Two positions are theory-focused at UZH and SU, one is experimental at PSI, with close collaboration.
no deadline
Postdoctoral positions in molecular simulation and computational materials sciencePostdoc
Inviting applications for postdoctoral positions in the IRC for Advanced Materials at KFUPM, Dhahran, Saudi Arabia. Candidates should have a strong background in molecular simulation, computational materials science (DFT, MD), scientific AI, and data-driven modelling. Interested candidates should complete the online application form and upload their CV. Shortlisted applicants will be contacted by email for interviews.
no deadline
Postdoctoral Research Associate in Quantum Many-Body Perturbation TheoryPostdoc
Postdoctoral position in the Quantum and Condensed Matter Physics Group at Los Alamos National Laboratory. The focus is on quantum many-body perturbation theory and its extension to non-equilibrium problems to model scanning tunneling spectroscopy of transuranic compounds, combined with machine learning techniques for analyzing theoretical and experimental spectra. Requires expertise in quantum many-body calculations and programming in Python, C++, or Fortran.
no deadline
Postdoctoral Research Fellow in Ultrafast 2D Electronic SpectroscopyPostdoc
Postdoctoral Research Fellow position at the Ultrafast Multidimensional Optical Spectroscopy Lab, Nanyang Technological University, Singapore, under Prof. Howe-Siang Tan. The role involves developing and applying Ultrafast 2D Electronic Spectroscopy (2DES) to study complex systems, including ultrafast excitation energy transfer in photosynthetic systems and spectral diffusion dynamics. Requires a PhD in Chemistry, Physics, or related field with experience in ultrafast laser spectroscopy.
no deadline
Postdoctoral Researcher - Computer Modelling of Battery Cathode MaterialsPostdoc
A postdoctoral research position is available at the University of Oxford within the group of Prof Saiful Islam, part of The Faraday Institution 3D-CAT project. The research focuses on the computer modelling and materials design of lithium battery cathodes, investigating structural, redox, transport, and interface properties of Li-rich three-dimensional materials using advanced computational techniques such as density functional theory, molecular dynamics, cluster expansion, and machine learning.
no deadline
PhD position on the diffraction of atoms through 2D materialsPhD
A three-year Ph.D. position is available in Strasbourg within the theoretical quantum dynamics of nano-objects group led by Pr. Paul-Antoine Darius HERVIEUX at IPCMS, Université de Strasbourg. The research topic focuses on the diffraction of atoms through 2D materials.
no deadline
Research Position: DFT simulations of complex materialsPostdoc
Research Position in Padua (IT): DFT simulations of complex materials This is an informal advertisement for a soon to be open position in the Department of Physics of the University of Padua (Italy) for an Incarico di ricerca. The contract has a length of 24 months and it is…
Full announcement
Research Position in Padua (IT): DFT simulations of complex materials This is an informal advertisement for a soon to be open position in the Department of Physics of the University of Padua (Italy) for an Incarico di ricerca. The contract has a length of 24 months and it is open to candidates who completed their Master's degree no more than 6 years prior to the start of the contract. The research involves the ab-initio simulation of the electronic properties of 2D and dielectric materials. A special focus will be given to the pairing of ab-initio molecular dynamic runs and NMR response simulations. The work will be carried out in collaboration with experimental collaborators. The ideal candidate: Holds a Master's degree or a PhD in Physics, Chemistry, Materials Science, or a related field Has expertise in solid-state physics and/or solid-state chemistry Is fluent in python programming Has a basic knowledge of Machine Learning and Neural Networks Does not need to have expertise in ab-initio simulations of the electronic structure, but this is considered an advantage To receive more details and information about the candidature, interested candidates can contact Dr. Federico Brivio at febrivio pd.infn.it, using the subject "[IR 2026] + $YOUR_SURNAME". The Incarico di ricerca is a new type of contract in the Italian system, which is open to candidates holding either a PhD or a Master's degree. As mentioned above, the Master's degree must have been obtained before the closing of the application and no more than 6 years prior to the start of the contract. Assuming as start date the 1st December 2026, this means that the Master's degree must have been obtained after the 1st December 2020. The candidate will be selected through a public selection procedure that will be advertised on EURAXESS. The application will be posted online after the 1st of November and will remain open for 2 weeks. The selection procedure will consist of an evaluation of the CVs followed by a short interview (~ 10 minutes) about the candidate's past experience, such as their work done during the Master's or PhD thesis. It will be possible to do the interview online. The successful candidate must take service before the 1st of January 2027, and the contract must be signed in person before then. Due to the festivities, this means that the contract will need to be signed before the 18th of December 2026. The position is open to both European and non-European citizens, but candidates must obtain the right to work in Italy by the start of the contract. The net salary is approximately €1,650/month (RAL: €22,699). It may be possible to obtain a significant tax reduction (~ €200/month) by moving one's tax residency to Italy. Further details and requirements for applying for these tax benefits are provided by the Italian Revenue Agency: https://www.agenziaentrate.gov.it/portale/web/english/nse/individuals/tax-incentives-for-attracting-human-capital-in-italy . ######################################################################## Members of this mailing list agree to abide by the code of conduct, available at - https://www.jiscmail.ac.uk/cgi-bin/filearea.cgi?LMGT1=PSIK-FORUM To unsubscribe from the PSIK-FORUM list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=PSIK-FORUM&A=1 This message was issued to members of www.jiscmail.ac.uk/PSIK-FORUM, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
no deadline
PhD position in coupled-cluster theory developmentPhD
Fully funded 3-year PhD position developing coupled-cluster methods for strongly correlated materials within the FWF ASTRA project at University of Vienna, supervised by Dr. Pavel Pokhilko in Prof. Leticia González's group. Salary €50,220/year with full benefits.
no deadline
Postdoctoral Researcher in Materials InformaticsPostdoc
Postdoctoral opportunity in data-driven discovery of energy materials at Johns Hopkins University (S4E lab). Focus on fusion/fission materials, redox chemistry, and quantum computing. Requires PhD, ab-initio code experience, and strong programming skills.
no deadline
PhD Studentship: SPINDRIFT—Finite Temperature Neural Quantum States for Quantum Monte CarloPhD
A fully funded PhD studentship at Imperial College London supervised by Assoc. Prof. Jarvist Moore Frost. The project SPINDRIFT focuses on extending finite-temperature neural quantum states and path integral Monte Carlo to study the uniform electron gas and spontaneous symmetry…
no deadline
Postdoctoral (f/m/d) on operando modelling in electro-catalysis and hydrogen storage materialsPostdoc
Postdoctoral position in the HyPotential IRTG between RWTH Aachen and Institute of Science Tokyo. Research on grand canonical molecular dynamics of electrified interfaces and multiscale modelling of hydrogen storage in hydrides and ceramics.
May already be filled
These adverts gave no deadline and were posted over 45 days ago.
no deadline
Assistant / Associate Professor of Chemistry in Advanced Materials SciencePermanent
Tenure-track faculty position in advanced materials chemistry at Constructor University in Bremen, focusing on synthesis, physicochemical characterization, and computational modeling. Includes teaching at BSc, MSc, and PhD levels.
no deadline
PhD in Computational Chemistry for Porous Organic CagesPhD
PhD position in computational chemistry at Instituto de Nanociencia y Materiales de Aragón, CSIC, and Universidad de Zaragoza. Investigating porous organic cages using quantum chemistry, molecular dynamics, and machine learning to study excited states and design photoactive…
no deadline
Postdoctoral position on attosecond spectroscopyPostdoc
Postdoctoral position on attosecond photoionization dynamics of bio-relevant systems at UCM, using isolated attosecond pulses and photoelectron spectroscopy. Requires PhD in Physics/Chemistry with background in light-matter interaction and molecular dynamics.