CATRIN-MAT

Atomic Precision Materials

From atomic precision to functional materials. The group combines synthesis, advanced characterisation and computational modelling to understand and control the structure, chemistry and function of materials at the level of individual atoms and molecules.
prof. RNDr. Michal Otyepka, Ph.D.
Group leader
Phone +420585634973
E-mail michal.otyepka@upol.cz

About the group

The research of the Atomic Precision Materials group is built on the ability to understand and control the chemical structure of materials down to the level of individual atoms, bonds and functional groups. We combine synthesis, advanced experimental characterisation and computational modelling to reveal the relationship between the atomic structure of a material and its resulting properties and function.

A major focus of our research is the chemistry of two-dimensional materials, particularly graphene and its derivatives. We are advancing fluorographene chemistry as a versatile platform for developing functional graphene materials with precisely introduced chemical groups and active centres. Building on this approach, we develop new materials for catalysis, energy storage, electrochemical sensors and biosensors, as well as printed electronics. We pay particular attention to materials containing isolated metal atoms, combining synthesis and spectroscopic characterisation with quantum chemical calculations to determine their local coordination, electronic structure and reactivity.

We complement experimental research with computational chemistry methods ranging from electronic structure calculations and molecular dynamics to multiscale and data-driven approaches. We use these calculations not only to explain experimentally observed properties, but also to predict new structures, reaction mechanisms and functional materials. The group’s computational research also explores the structure and dynamics of complex molecular and biomolecular systems, particularly nucleic acids, and focuses on developing and testing molecular simulation methods.

The ultimate goal is to bridge the gap between understanding materials at the atomic level and unlocking their practical applications – from individual active centres and chemically defined nanomaterials to electrodes, sensors, catalysts and energy storage devices.

News

List of Employees

Name Academic title E-mail Phone Position
Michal Otyepka prof. RNDr., Ph.D. michal.otyepka@upol.cz +420585634973 Group leader
Pavel Banáš doc. Mgr., Ph.D. pavel.banas@upol.cz +420585634762
Piotr Blonski doc., Ph.D. piotr.blonski@upol.cz +420585634769
Roman Buchtík RNDr., Ph.D. roman.buchtik@upol.cz +420585634354
Zaira Carboni MSc. zaira.carboni01@upol.cz
Petra Čechová Mgr., Ph.D. petra.cechova@upol.cz +420585634386
Adéla Chadalíková Mgr. adela.chadalikova@upol.cz
Ivan Dědek Mgr., Ph.D. ivan.dedek@upol.cz
Vítězslav Hrubý Mgr., Ph.D. vitezslav.hruby@upol.cz +420723004074
Matěj Jendrišák Mgr. matej.jendrisak@upol.cz
Sergii Kalytchuk Ph.D. sergii.kalytchuk@upol.cz +420585634391
Miroslav Krepl RNDr., Ph.D. miroslav.krepl@upol.cz
Petra Kührová Mgr., Ph.D. petra.kuhrova@upol.cz +420585634386
Vojtěch Kupka Ing., Ph.D. vojtech.kupka@upol.cz +420585634474
Petr Lazar Mgr., Ph.D. petr.lazar@upol.cz +420585634767
Jana Marková Mgr. jana.markova@upol.cz +420585634973
Miroslav Medveď doc. RNDr., Ph.D. miroslav.medved@upol.cz
Vojtěch Mlýnský Mgr., Ph.D. vojtech.mlynsky@upol.cz
Martin-Alex Nalepa Mgr. martinalex.nalepa@upol.cz
Jan Navrátil Mgr. jan.navratil@upol.cz +420775119607
Andrea Nedělníková Mgr. andrea.nedelnikova@upol.cz
Chiara Olla Ph.D. chiara.olla@upol.cz
Markéta Paloncýová Mgr., Ph.D. marketa.paloncyova@upol.cz +420585634386
Martin Pykal Mgr., Ph.D. martin.pykal@upol.cz +420585634423
Cristóbal Francisco Quintana Lopetegui Ph.D. cristobal.quintana@upol.cz
Veronika Šedajová Mgr., Ph.D. veronika.sedajova@upol.cz
Jiří Šponer prof. RNDr., DrSc. jiri.sponer@upol.cz +420585634760
Judit Šponerová Ph.D. judit.sponerova@upol.cz
Martin Šrejber Mgr., Ph.D. martin.srejber@upol.cz
Patrick Trouillas Ph.D. patrick.trouillas@upol.cz
Jan Urbánek Mgr. jan.urbanek@upol.cz
Matyáš Wolfram Mgr. matyas.wolfram@upol.cz
Rongrong Wu Ph.D. rongrong.wu@upol.cz
Radek Zbořil prof. RNDr., Ph.D. radek.zboril@upol.cz +420 585 63 4762

Group publications

M. G. Sibi, A. M. Parambil, S. Bhattacharjee, K. Keerthi, E. Lohith, S. Vallem, D. Konwar, A. Bathla, A. Panda, S. Madala, N. Jyothi, S. Venkateswarlu, R. V. Jagadeesh, A. Bakandritsos and R. Zboril
"Next gen single atom-based sensors for noxious pesticides: Atomic-level design principles, breakthroughs and future Frontiers",
COORDINATION CHEMISTRY REVIEWS, vol. 570, Part 1, pp. 218537, 2027.
IF = 25.6
E. A. Lohith, K. Keerthi, A. G. Babu, M. Halanur, S. Vallem, N. Chendrayudu, S. Madala, N. V. V. Jyothi, S. Venkateswarlu, R. V. Jagadeesh and R. Zboril
"Magnetically engineered MXenes: interfacial design, coordination chemistry, and emerging opportunities for sustainable water remediation",
COORDINATION CHEMISTRY REVIEWS, vol. 571, pp. 218580, 2027.
IF = 25.6
R. Rossi, D. Jaďuďová, S. Doria, A. Iagatti, C. Parmeggiani, D. S. Wiersma, W. J. Buma, T. Prins, M. Hilbers, A. Laurent, M. Medved, D. Martella and M. Di Donato
"Tuning the photochemical isomerization in azobenzene analogues containing phenol groups and heterocyclic rings",
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A: CHEMISTRY, vol. 484, pp. 117770, 2027.
IF = 4.4
M. Zatloukalová, A. Laroui, Á. Tóth, B. Chantemargue, L. Dostálková, P. Kosina, L. Poltorak, J. Vostálová, R. Sokolová, P. Trouillas and J. Vacek
"Modes of interaction between tapinarof and model lipid membranes mimicking stratum corneum lipid composition and related transdermal transport in human skin",
BIOCHIMICA ET BIOPHYSICA ACTA (BBA) - BIOMEMBRANES, vol. 1869, iss. 1, pp. 184577, 2027.
IF = 2.4
Z. Ma, N. Rockstroh, Z. Chen, V. Goyal, C. Kuloor, S. Bartling, Z. Baďura, J. Rabeah, L. Dong, H. Lund, B. Nan, R. Zbořil, R. V. Jagadeesh and M. Beller
"Iron-based single-atom catalysts for selective ammoxidation of C(sp3)–H bonds and oxidative C–C cleavage reactions",
NATURE CATALYSIS, vol. 9, pp. 389–403, 2026.
IF = 48.3
F. M. Yurtsever, M. C. Ramakrishnan, I. K. Ross, I. Zelinka, H. Shahsavan, M. Otyepka and M. Pumera
"Artificial Intelligence Meets Micro/Nanorobotics",
Advanced Materials, Article in press, 2026.
IF = 29.1
All group publications