Seminaria

Wydarzenie w dniu 15.05.2026:

SEMINARIUM

Zakładów Naukowych ZN2, ZN3, ZN5

Dnia: 15.05.2026 roku (piątek)
o godzinie 10:00 w auli Instytutu Fizyki Molekularnej Polskiej Akademii Nauk w Poznaniu

referat pt.:

Analiza przejść fazowych w perowskicie metalohalogenkowym Cs4PrBr6: badania DFT

wygłosi

dr hab. Maria Pugaczowa-Michalska

Instytut Fizyki Molekularnej PAN

IR and Raman spectral analysis, conducted at varying pressures and molecular dynamics calculation within a machine-learning interatomic potential framework, revealed a change in the hydrogen-bonding pattern of imidazolium hydrogen o-phthalate at about 3 GPa.

S. Zięba, C. Kadlec, A. Mizera, E. Buixaderas, M. Lebeda, P. Ondřejkovič, J. Hlinka, P. Kužel
Collapse of the Helical Hydrogen Bond Structure in Imidazolium Hydrogen o-Phthalate Under High Pressure: A Vibrational Spectroscopy Study
Journal of Physical Chemistry Letters 17, 5266 (2026)
Pressure-dependent IR and Raman spectroscopy revealed that the coordination polymer in fullerene-palladium (C₆₀Pd₃) could be converted into the amorphous (C60)n homofullerene polymeric phase under a mild pressure of approximately 4.5 GPa.

S. Zięba, E. Grądzka, A. Mizera, D. Pogocki, B. Seroka, J. Goclon, R. Łaźny, K. Winkler
In Situ Infrared and Raman Analysis of Structural Changes of (C₆₀Pd₃)_n Coordination Polymer Under Elevated Pressure
Journal of Physical Chemistry B 130, 4473 (2026)
CHOS-Im and Chitosan-Im show high proton conductivity above 100 °C, driven by imidazole mobility and hydrogen-bond dynamics.

I. Jankowska, P. Ławniczak, M. Bielejewski, R. Pankiewicz,
J. Tritt-Goc
Imidazole-Doped Chitin Oligosaccharides and Chitosan Biopolymer Composites for Anhydrous High-Temperature Proton Conduction
J. Phys. Chem. C, 130, (2026)
2D ¹H−¹³C HETCOR spectra for the 20 wt % G2/PC gel membrane (green) and solid-state gelator G2 sample (red).

F. Ahmad, N. Bielejewska, D. Pakulski, M. Bielejewski
Translational Dynamics and Structural Enhancement Effect in High-Temperature supramolecular Systems of Asparaginyl Low-Molecular-Weight Gelators and Propylene Carbonate
Macromolecules 58, 18, 9786-9798 (2025)
The energy landscape varies with height above the pattern, acting on particles of different sizes in distinct ways.

S. Wohlrab, L. Schelter, A.R. Perayil, P. Kuświk, M. Urbaniak, F. Stobiecki, A.J. Vereijken, A. Ehresmann, T.M. Fischer, D. de las Heras
Size-Specific Transport of Colloidal Particles Using Magnetic Fields
Physical Review Letters 136, 188201 (2026)
Covariance decomposition explains the sign of covariance between an enzyme’s unbound state and the product release rate.

K. Ptaszyński, T. Aslyamov, M. Esposito
Nonequilibrium fluctuation-response relations for state-current correlations
Phys. Rev. E 113, 024131 (2026)
The paper presents the vibrational dynamics of the hydrated imidazole hemimelate, an amphidynamic molecular crystal in which an order-disorder transition was observed at 150 K, as well as proton-phonon coupling below 100 K.

S. Zięba, C. Kadlec, S. Priya, Y. Lin, A. Mizera, M. Dressel, P. Kužel
Amphidynamic Molecular Crystal with Temperature-Controlled Helical Hydrogen-Bonded Network: Proton Dynamics and Order−Disorder Phase Transition
J. Phys. Chem. Lett., 17, 4041−4049 (2026)
$Mode-dependent phonon relaxation in time-resolved electron diffraction pattern simulations$

In molecular dynamics simulations, we observed changes in the intensities of EELS diffractogram peaks along the relaxation process.

W. Marciniak, J. Marciniak, J.Á. Castellanos-Reyes, J. Rusz
Mode-dependent phonon relaxation in time-resolved electron diffraction pattern simulations
Ultramicroscopy 282, 114320 (2026)

Więcej research highlights...

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Najbliższe seminarium:

08.06 - SEMINARIUM

Program Operacyjny Wiedza Edukacja Rozwój
Środowiskowe interdyscyplinarne studia doktoranckie w zakresie nanotechnologii
INNOTECH - In-Tech
PIHe3

Instytut Fizyki Molekularnej
Polskiej Akademii Nauk
ul. Mariana Smoluchowskiego 17
60-179 Poznań

tel.: 61 86 95 100
fax: 61 86 84 524
e-mail: office@ifmpan.poznan.pl

NIP: 777-00-20-870

S. Wohlrab, L. Schelter, A.R. Perayil, P. Kuświk, M. Urbaniak, F. Stobiecki, A.J. Vereijken, A. Ehresmann, T.M. Fischer, D. de las Heras
Size-Specific Transport of Colloidal Particles Using Magnetic Fields
Physical Review Letters 136, 188201 (2026)
S. Zięba, C. Kadlec, A. Mizera, E. Buixaderas, M. Lebeda, P. Ondřejkovič, J. Hlinka, P. Kužel
Collapse of the Helical Hydrogen Bond Structure in Imidazolium Hydrogen o-Phthalate Under High Pressure: A Vibrational Spectroscopy Study
Journal of Physical Chemistry Letters 17, 5266 (2026)
S. Zięba, E. Grądzka, A. Mizera, D. Pogocki, B. Seroka, J. Goclon, R. Łaźny, K. Winkler
In Situ Infrared and Raman Analysis of Structural Changes of (C₆₀Pd₃)_n Coordination Polymer Under Elevated Pressure
Journal of Physical Chemistry B 130, 4473 (2026)
D. Krychowski, S. Lipiński
Fractional shot noise of an SU(N) Kondo system
Beilstein Journal of Nanotechnology (2026)
S. Zięba, C. Kadlec, S. Priya, Y. Lin, A. Mizera, M. Dressel, P. Kužel
Amphidynamic Molecular Crystal with Temperature-Controlled Helical Hydrogen-Bonded Network: Proton Dynamics and Order−Disorder Phase Transition
J. Phys. Chem. Lett., 17, 4041−4049 (2026)
I. Jankowska, P. Ławniczak, M. Bielejewski, R. Pankiewicz, J. Tritt-Goc
Imidazole-Doped Chitin Oligosaccharides and Chitosan Biopolymer Composites for Anhydrous High-Temperature Proton Conduction
J. Phys. Chem. C, 130, (2026)
B.R. Bułka, T. Domański, K.I. Wysokiński
Interplay of spin-orbit interaction and Andreev reflection in proximized quantum dots
Physical Review B 113, 115430 (2026)
K. Ptaszyński, T. Aslyamov, M. Esposito
Nonequilibrium fluctuation-response relations for state observables
Phys. Rev. E 113, 024130 (2026)
K. Ptaszyński, T. Aslyamov, M. Esposito
Nonequilibrium fluctuation-response relations for state-current correlations
Phys. Rev. E 113, 024131 (2026)
B. Pyzik, M. Bonalska, S. Ali, S. Wolff, M. Gazda, M. Bielejewski, P. Wityk, N.A. Wójcik
Aluminoborophosphate glasses and glass-ceramics doped with magnesium oxide: Structural, thermal, in vitro dissolution, and cytotoxicity studies
J. Eur. Ceram. Soc. 46, 3, 117868 (2026)
F. Ahmad, N. Bielejewska, D. Pakulski, M. Bielejewski
Translational Dynamics and Structural Enhancement Effect in High-Temperature supramolecular Systems of Asparaginyl Low-Molecular-Weight Gelators and Propylene Carbonate
Macromolecules 58, 18, 9786-9798 (2025)

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