The focus of our unit is the research in modern nuclear magnetic resonance (NMR). We are developing and applying modern experimental as well as computational magnetic resonance methods to create new tools to characterize physical properties of molecules, materials and nanosystems and to reliably interpret the acquired data with high accuracy using quantum-chemical calculations.
We also provide teaching in many courses in the physics curriculum, and supervise B.Sc. and M.Sc. theses, which are based on our research. More information about offered B.Sc. and M.Sc. projects (in Finnish).
Finnish version of our group webpages can be found here.
The NMR Research Unit at the University of Oulu, Finland, invites applications for a four-year PhD studentship in spin physics and magnetic resonance theory. In the project we investigate one or both of the following nuclear spin hyperpolarisation methods:
1. Spin-exchange optical pumping (SEOP), where a large degree of spin polarisation is first achieved for the unpaired electrons of alkali-metal atoms by optical pumping with circularly polarised light, and subsequently transferred to noble gas, e.g., 129/131Xe and 3He nuclei in gas-phase collisions between the two species. We simulate computationally the detailed spin transfer process at different experimental conditions (temperature, pressure, gas composition, choice of alkali metal and noble gas pair), to maximise the nuclear spin polarisation levels of the noble gas. Also of interest are the applications of the polarised substance in gas-phase metrology and fundamental physics.
2. Hyperpolarised chemical exchange saturation transfer, where SEOP-hyperpolarised, bulk 129Xe gas is exchanged into a host biosensor molecule, then saturated with a sweeping radio-frequency (rf) irradiation and exchanged back to the bulk solution. This results in polarisation depletion in the bulk, which is measurable in the intense, so-called z-spectrum as a function of the rf frequency. We model the relaxation, spin transfer and exchange effects in different cage systems, including paramagnetic ones. By this we seek microscopic understanding of the factors leading to the specific chemical shift and shape of the z-spectrum, paving way to sensing applications.
We require a MSc degree (or equivalent) in physics, physical/theoretical/computational chemistry, materials science, or a related field. The successful candidate has experience in quantum and statistical mechanics, as well as scientific computing. Knowledge of NMR spectroscopy, quantum chemistry, spin dynamics, molecular dynamics, or reaction kinetics is considered a merit. Further information about the PhD student position is available at https://oulunyliopisto.varbi.com/en/what:job/jobID:758008/. Applications (deadline November 15, 2024) can only be made through the appropriate link given above.
The postdoctoral position is a part of the Research Council of Finland research project ”Spin hyperpolarisation processes by multiscale simulations” led by Professor Juha Vaara. The project develops and applies efficient multiscale simulation techniques to simulate spin hyperpolarisation, a set of methodologies by which the sensitivity of modern nuclear magnetic resonance (NMR) spectroscopy can be enhanced by several orders of magnitude. The multiscale models involve molecular dynamics simulations to gain detailed atomic trajectories of the investigated molecular and materials systems, quantum-chemical calculations of the instantaneous atomic configurations to create a time series of spin Hamiltonians for the spins of the NMR nuclei and unpaired electrons, and finally spin dynamics simulations to propagate in time the density matrix of the combined spin system. The primary magnetic resonance observables such as spectra and magnetisation dynamics, e.g., relaxation or polarisation transfer, can then be extracted from the time-dependent density matrix, thus realising computational spectroscopy experiments on the spins and enabling direct comparison with experiments. Application deadline: August 31, 2024. For more information see https://oulunyliopisto.varbi.com/en/what:job/jobID:740484/.
We are now hiring a Doctoral Researcher (PhD student) in molecular magnetism in fully funded four-year position. The position is part of the research project “Spin-Delocalized Lanthanide Single-Molecule Magnets” funded by the Research Council of Finland and involves aspects of computational chemistry, molecular physics and inorganic chemistry. As a doctoral researcher you will be part of a multidisciplinary research group and work on studying and designing new types of single-molecule magnets utilizing computational and theoretical methods. The specific focus of the project will depend on the specific research interests of the doctoral researcher. Application deadline: August 18, 2024. For more information see https://oulunyliopisto.varbi.com/what:job/jobID:739914/.
We are now looking for a Doctoral Researcher (4 years) to join in the NMR Research Unit at the Faculty of Science. We are an internationally established, combined experimental and theoretical team of about 30 people, of which 50% with a PhD degree. We develop experimental, theoretical, and computational research methods based on magnetic resonance phenomena and apply those methods to topical problems in molecular and materials sciences. Our strength is in the tight connection between state-of-the-art measurements and calculations. We have an open and encouraging working atmosphere and have a substantial track record in successful funding applications both at the Research Council of Finland and in EU programmes. Application deadline: August 31, 2024. For more information see https://oulunyliopisto.varbi.com/en/what:job/jobID:740491/.
Congratulations to our researchers Juha Vaara, Akseli Mansikkamäki, and Vladimir Zhivonitko for receiving funding from Research Council of Finland.
as part of the Doctoral Education Pilot for Quantum Science and Technology (QDOC) at the University of Oulu. QDOC will educate a total 90 doctors located at seven different Finnish universities in a diverse and multidisciplinary setting encompassing physics, chemistry, computer science, and engineering. The doctoral researchers are trained by experts on fields related to the Finnish Quantum Flagship in close interaction with companies and other sectors of the society. Specific qualifications: A MSc (or equivalent) in physics, physical chemistry, materials science, or a related field, including experience in quantum mechanics and scientific computing. Knowledge in one or more of the following areas is considered a plus: quantum chemistry, spin dynamics, molecular dynamics, reaction kinetics. Application deadline: April 30, 2024. For more information, see position III in https://oulunyliopisto.varbi.com/en/what:job/jobID:713491/.
as part of the Doctoral Education Pilot for Quantum Science and Technology (QDOC) at the University of Oulu. QDOC will educate a total 90 doctors located at seven different Finnish universities in a diverse and multidisciplinary setting encompassing physics, chemistry, computer science, and engineering. The project is related to the theoretical and computational modeling of single-molecule magnets. The position is suitable for a candiate with MSc (or equivalent) degree in theoretical/condensed materials/molecular physics, physical/quantum/computational chemistry, materials science or a related field. Specific qualifications: Good working knowledge of molecular quantum mechanics and some programming skills. Experience in any of the following is preferred but not mandatory: scientific programming, quantum chemistry, density functional theory, command-line usage of Linux, quantum simulation. Application deadline: April 30, 2024. For more information, see position II in https://oulunyliopisto.varbi.com/en/what:job/jobID:713491/.
as part of the Doctoral Education Pilot for Mathematics of Sensing, Imaging and Modelling (DREAM) at the University of Oulu. DREAM will educate in total 100 doctors located at 7 Finnish universities in a diverse and multidisciplinary setting, encompassing applied mathematics, physics, engineering, and applied sciences. The doctoral researchers are trained by the experts on fields related to the Flagship of Advanced Mathematics for Sensing, Imaging and Modelling (FAME) in close interaction with companies and other sectors of the society.
Specific qualifications: A MSc (or equivalent) in physics, chemistry, materials science, or a related field. Experience in experimental NMR spectroscopy is a plus.
Application deadline: April 20, 2023.
For more information, see the application form.
NMR spectroscopy is one of the most powerful and versatile methods in chemical and materials characterization. This doctoral training project aims at developing sensitive, efficient, and information-rich NMR methods and applying them in the characterization of nanostructured cellulose materials. The NMR methods include, e.g., ultrafast Laplace NMR, which provide detailed information about the dynamics of molecules. The project will study porous materials and chemical structures of novel hybrid cellulose nanomaterials as well as their function in applications ranging from separation processes to electronics.
Specific qualifications: Background related to NMR methods is important. Moreover, knowledge on cellulose/soft materials is a benefit.
Application deadline: April 14, 2023.
For more information, see the application form.
Haluatko päästä osaksi huippututkimusta ja huippumukavaa tutkimusryhmää? Hae kesätöihin NMR-tutkimusyksikköön! Tarjolla on paikkoja joka lähtöön, kokeellisesta menetelmänkehitystyöstä laskennallisteoreettiseen tutkimukseen, ja sovelluksia bio- ja akkumateriaaleista syöpäsolujen aineenvaihduntaan ja ilmakehän aerosoleihin. Kiillota CV ja opintorekisteriote ja lähetä hakemus eetteriin 11.2. mennessä!
Hakulinkki
Alla on lisää linkkejä, joista löytyy tietoa NMR-tutkimusyksikön toiminnasta. Tärkeimmät tiedot on kerätty tämän viestin liitteenä olevaan esittelykuvaan. Tänne saa myös tulla rohkeasti kyselemään ja tutustumaan!
Yksikön kotisivut
Kesätyöntekijöiden fiiliksiä kesältä 2023
Esittelyvideo
The project aims to develop efficient approaches to model NMR parameters in large molecular systems at real physical conditions. This is achieved by combining state-of-the-art quantum chemical (QC) methods at relativistic level for heavy-element containing systems with atomistic molecular dynamics (MD) simulations utilizing modern semi-empirical and machine learning (ML) approaches. The work is carried out in close collaboration with local and international experimental NMR researchers, where modeling is essential part providing predictions and microscopic interpretations of experimental observations. As a post-doctoral researcher, you will focus on developing QM/MD/ML-methods for large length- and time-scale simulations in new porous materials. The developed approaches will have great impact on materials NMR studies.
Application deadline: October 15, 2023.
For more information, see the application form.
Perttu Lantto has obtained financial support from Academy of Finland for a project about realistic modelling of NMR parameters of porous materials. Congratulations!
Otto Mankinen has received funding for Academy Research Fellow position from the Academy of Finland for Ultrafast Laplace NMR for biomaterials and energy solutions. Congratulations!
On May 11-12 our group will take turn in organizing the Finnish Computational Chemistry Days (CCD2023) here in Oulu. The registration and abstract submission is now open until April 14th. For more information click here.
Last year we organized a short survey about the experiences of our summer workers at our unit. You can find their answers here (in Finnish only).
We are also hiring for this summer! Some of the topics were are studying can be found in this link or click the image. Come and ask if you are interested and apply for the position here by 5th February.
Our doctoral researcher Perttu Hilla has been awarded by Section for Computational Chemistry of the Finnish Chemical Societies for his thesis ”Molecular Dynamics of Xenon in Cryptophane-A”. Congratulations!
Perttu will give a seminar about his thesis on Thursday January 26th. You can find more information about how to follow the seminar online on the webpages of the Finnish Chemical Societies.
The project aims to significantly shorten the experiment time of multidimensional relaxation and diffusion experiments and, at the same time, improve sensitivity by several orders of magnitude by modern hyperpolarization methods. This enables one to observe fast molecular processes in real time, and much lower concentrations become detectable. The method has many interesting applications in various disciplines, including chemistry, biochemistry, materials science and medicine; for example, they are utilized to better understand the role of aerosols in climate change, developing novel biosensors and characterization of alternative sustainable biomaterials and cements. In addition, it has potential to contribute significantly to the development of advanced, cost-efficient, low-field and mobile NMR techniques.
Application deadline: December 31st, 2022
For more information about the position, see the application form.
Five PhD student positions in the NMR field can be applied for at the University of Oulu, within the I4WORLD doctoral programme:
These positions are fully financed and for the duration of four years, starting at the latest on September 1, 2023. The application deadline is January 31, 2023. Detailed application instructions are given on the website of the doctoral programme.
Our researcher Anu Kantola has received funding from Academy of Finland for a project investigating optical detection of NMR. Congratulations!
Our article Hyper-CEST NMR of metal organic polyhedral cages reveals hidden diastereomers with diverse guest exchange kinetics that was recently published in Nature Communications has been picked for Editors’ Highlights in section Inorganic and physical chemistry.
The master's theses of Katja Tolkkinen and Perttu Hilla were selected among the finalists, and got honorary mentions for their work in the competition for Master's thesis prize by Finnish Physical Society. Katja worked on experimental NMR cryoporometry of porous materials and articular cartilage and Perttu theoretically modelled dynamics of xenon atoms for applications in biosensors. Both Katja and Perttu are now continuing their postgraduate research in our group. Congratulations!
Katja's blogpost
and her thesis
Perttu's video
and his thesis
Finnish Cultural Foundation has awarded grants for 2021 October call. Our postdoctoral researcher Otto Mankinen has received 30 000 EUR for development of ultrafast Laplace NMR of biomaterials, such as biofuels and lignin. Congratulations!
Are you interested in working with experimental or computational NMR? We are offering up to four summer work positions in our unit, both in experimental and computational group. Apply here. Deadline is 20 February.
Otto Mankinen received an award for exemplary doctoral thesis in Technical and Natural Sciences from the University of Oulu graduate school. Congratulations!
We are pleased to congratulate to our group members who have recently received prizes for presentations of their research. Jing Li has won the poster prize at AMPERE Summer school for her poster about Xe NMR in geopolymers. Sarah Mailhiot has been awarded Best Oral Presentation by a young scientist (funded by Magritek) at Compact NMR Conference II on her work about measuring D-T2 correlations in the magnetic stray field. Congratulations!
Professor Ville-Veikko Telkki has received funding from Academy of Finland for the project "Ultrafast Laplace NMR in biochemistry". Congratulations!
Professor Juha Vaara has been selected as one of the new members of the Finnish Academy of Science and Letters. Congratulations!
The exchange of molecules between different physical or chemical environments due to diffusion or chemical transformations has a crucial role in a plethora of fundamental processes such as breathing, protein folding, chemical reactions and catalysis.
Our Unit developed an NMR method to speed up the detection of molecular exchange to 10000-fold. The method is exploited in the climate change research to understand the composition of atmospheric aerosols in collaboration with the Nano and Molecular Systems (NANOMO) Research Unit at the University of Oulu. See the original article in Nature Communications.
[Spectroscopy Europe]
[Finnish news agency (In Finnish)]
[University of Oulu news (in Finnish)]
[AlphaGalileo]
[phys.org]
[@UniOulu twitter]
[Kemia (in Finnish)]
Our unit has received funding for a project Advanced NMR for sustainability as a part of Kvantum institue of the University of Oulu.
On July 27-29 the first Parahydrogen Enhanced Resonance Meeting (PERM) took place as a virtual conference, featuring a wide selection of exciting science. You can now watch a video recording of the contribution from our group detailing our recent progress in the field of nuclear magneto-optics.
Our group will open a new course Molecular magnetism in the upcoming second period the autumn semester 2020. For more information see the course description link or contact Akseli Mansikkamäki.
Professor Juha Vaara, head of the theoretical group in our unit, has received funding from Academy of Finland for the project Multiscale simulation of magnetic resonance physics. Congratulations!
Akseli Mansikkamäki has received a postdoctoral grant from the Academy of Finland for the research focusing on properties of single-molecule magnets.
Researchers from our group have confirmed predictions made in 1970 that NMR chemical shift depends on the strength of the magnetic field.
See article in Chemistry World and original article in Physical Chemistry Chemical Physics featured in 2020 PCCP HOT Article Collection.
[Finnish News Agency (in Finnish)]
[University of Oulu news (in English) (in Finnish)]
[@UniOulu twitter]
[Tekniikka & Talous (in Finnish)]
[Kemia (in Finnish)]
Our recent article "Low-Concentration Measurements of Nuclear Spin-Induced Optical Rotation Using SABRE Hyperpolarization", published in prestigious The Journal of Physical Chemistry Letters, has been featured in multiple news outlets. You can read the full article about the emerging field of nuclear magneto-optics here. [Finnish News Agency (in Finnish)] [Spectroscopy Europe] [Phys.org] [Nanowerk] [AlphaGalileo] [@UniOulu twitter] [University of Oulu news in English (in Finnish)] [Tekniikka & Talous]
Vladimir Zhivonitko has received Project funding from the Academy of Finland for the research focusing on development of metal-free activators for parahydrogen to create biosensors for NMR and MRI studies.
Sarah Mailhiot has received a postdoctoral position from the Academy of Finland. Her project concerns application of NMR and MRI methods for investigation of new sustainable cement materials with low or zero carbon footprint.
The XLI Finnish NMR Symposium will take place on 5-7 June 2019 in Rokua Health & Spa. We are pleased to host three plenary speakers
Further information and registration dates will be announced on the official website of the conference http://nmrsymposium.fi/2019/.
Petr Štěpánek has received the postdoctoral researcher position from the Academy of Finland for the project concerning nuclear magneto-optic spectroscopy.
Ville-Veikko Telkki received an ERC consolidator grant (2.6 M€) for the development of ultrafast Laplace NMR.
News in English
News in Finnish
Ville-Veikko Telkki featured in a series about Finnish physicists (in Finnish) http://blogs.helsinki.fi/sfs-70/2017/11/30/ville-telkki-mullistaa-nmr-spektroskopiaa/
The NMR research group can be found at the Linnanmaa Campus, corridor G (red), G2 staircase, 3rd floor.
Internal University address: 3KEM
If you are interested in our research, collaboration, or want to study in our group, please contact prof. Juha Vaara or prof. Ville-Veikko Telkki.
NMR Research Unit
Faculty of Science
P.O. Box 3000
FIN-90014 University of Oulu
Finland
Tel: +358-294-48 1343 (theory)
Tel: +358-294-48 1309 (experiment)
