Publications

Publication list also available in Google Scholar. ★ = postdoc researcher, ☆ = PhD student.

Journal articles

2024

[20] J. A. Green, D. Brey, L. P. Razgatlioglu, B. Ali, B. Błasiak, Irene Burghardt. Internal Conversion Cascade in a Carbon Nanobelt: A Multiconfigurational Quantum Dynamical Study. J. Chem. Theory Comput., 2024, 20, 8127.

2022

[19] B. Błasiak, D. Brey, W. Koch, R. Martinazzo, I. Burghardt. Modelling Ultrafast Dynamics at a Conical Intersection with Regularized Diabatic States: An Approach Based on Multiplicative Neural Networks. Chem. Phys., 2022, 560, 111542.

2021

[18] B. Błasiak, J. D. Bednarska★, M. Chołuj★, R. W. Góra, W. Bartkowiak. Ab initio effective one-electron potential operators: Applications for charge-transfer energy in effective fragment potentials. J. Comput. Chem., 2021, 42, 398.

[17] B. Błasiak, W. Bartkowiak, R. W. Góra. An effective potential for Frenkel excitons. Phys. Chem. Chem. Phys., 2021, 23, 1923.

[16] M. Chołuj★, B. Błasiak, W. Bartkowiak. Partitioning of the interaction-induced polarizability of molecules in helium environments. Int. J. Quant. Chem., 2021, 121, e26544.

2020

[15] C. R. Baiz, B. Błasiak, et al.. Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction. Chem. Rev., 2020, 15, 7152.

2019

[14] J. M. Schmidt-Engler, L. Blankenburg, B. Błasiak, L. J. G. W. van Wilderen, M. Cho, J. Bredenbeck. Vibrational Lifetime of the SCN Protein Label in H₂O and D₂O Reports Site-Specific Solvation and Structure Changes During PYP’s Photocycle. Anal. Chem., 2019, 92, 1024.

[13] L. Blankenburg, L. Schroeder, F. Habenstein, B. Błasiak, T. Kottke, J. Bredenbeck. Following local light-induced structure changes and dynamics of the photoreceptor PYP with the thiocyanate IR label. Phys. Chem. Chem. Phys., 2019, 21, 6622.

2018

[12] B. Błasiak. One-particle density matrix polarization susceptibility tensors. J. Chem. Phys., 2018, 149, 164115.

[11] R. J. Xu, B. Błasiak, M. Cho, J. P. Layfield, C. H. Londergan. A direct, quantitative connection between molecular dynamics simulations and vibrational probe line shapes. J. Phys. Chem. Lett., 2018, 9, 2560.

2017

[10] B. Błasiak, C. H. Londergan, L. J. Webb, M. Cho. Vibrational probes: From small molecule solvatochromism theory and experiments to applications in complex systems. Acc. Chem. Res., 2017, 50, 968.

2016

[9] B. Błasiak, A. W. Ritchie, L. J. Webb, M. Cho. Vibrational solvatochromism of nitrile infrared probes: Beyond the vibrational Stark dipole approach. Phys. Chem. Chem. Phys., 2016, 18, 18094.

[8] M. Maj, C. Ahn, B. Błasiak, K. Kwak, H. Han, M. Cho. Isonitrile as an ultrasensitive infrared reporter of hydrogen-bonding structure and dynamics. J. Phys. Chem. B, 2016, 120, 10167.

[7] A. Kundu, B. Błasiak, J.-H. Lim, K. Kwak, M. Cho. Water hydrogen-bonding network structure and dynamics at phospholipid multibilayer surface: femtosecond mid-ir pump–probe spectroscopy. J. Phys. Chem. Lett., 2016, 7, 741.

[6] T. Kwon, J. Park, H. Baik, S. Back, B. Błasiak, M. Cho, Y. Jung, K. Lee. Unexpected solution phase formation of hollow PtSn alloy nanoparticles from Sn deposition on Pt dendritic structures. CrystEngComm, 2016, 18, 6019.

2015

[5] B. Błasiak, M. Cho. Vibrational solvatochromism. III. Rigorous treatment of the dispersion interaction contribution. J. Chem. Phys., 2015, 143, 164111.

[4] B. Błasiak, M. Maj, M. Cho, R. W. Góra. Distributed multipolar expansion approach to calculation of excitation energy transfer couplings. J. Chem. Theory Comput., 2015, 11, 3259.

2014

[3] B. Błasiak, M. Cho. Vibrational solvatochromism. II. A first-principle theory of solvation-induced vibrational frequency shift based on effective fragment potential method. J. Chem. Phys., 2014, 140, 164107.

2013

[2] B. Błasiak, H. Lee, M. Cho. Vibrational solvatochromism: Towards systematic approach to modeling solvation phenomena. J. Chem. Phys., 2013, 139, 044111.

[1] R. W. Góra, B. Błasiak. On the origins of large interaction-induced first hyperpolarizabilities in hydrogen-bonded π-electronic complexes. J. Phys. Chem. A, 2013, 117, 6859.

Software

2020

[2] B. Błasiak, M. Chołuj★, J. D. Bednarska★, R. W. Góra, W. Bartkowiak. EOPDev 1.0.0, 2020-11-19 (v1.0.0). Zenodo, 2020.

2017

[1] B. Błasiak. Solvshift - Vibrational Solvatochromsim Package. 2012-2022.