Correlation-induced viscous dissipation in concentrated electrolytes
P. Robin, Journal of Chemical Physics 160 (2024).
LibreCat: https://research-explorer.ista.ac.at/record/15024
DOI: 10.1063/5.0188215
PMID: 38349632
arXiv: 2311.11784

Variational theory of angulons and their rotational spectroscopy
Z. Zeng, E. Yakaboylu, M. Lemeshko, T. Shi, R. Schmidt, The Journal of Chemical Physics 158 (2023).
LibreCat: https://research-explorer.ista.ac.at/record/12831
DOI: 10.1063/5.0135893
WoS: 000970038800001
arXiv: 2211.08070

Computing chemical potentials of adsorbed or confined fluids
R. Schmid, B. Cheng, The Journal of Chemical Physics 158 (2023).
LibreCat: https://research-explorer.ista.ac.at/record/12912
DOI: 10.1063/5.0146711
WoS: 001010676000010
PMID: 37093149
arXiv: 2302.01297

Achiral dipoles on a ferromagnet can affect its magnetization direction
R. Al Hyder, A. Cappellaro, M. Lemeshko, A. Volosniev, The Journal of Chemical Physics 159 (2023).
LibreCat: https://research-explorer.ista.ac.at/record/14321
DOI: 10.1063/5.0165806
PMID: 37694742
arXiv: 2306.17592

Structure and elasticity of model disordered, polydisperse, and defect-free polymer networks
V. Sorichetti, A. Ninarello, J. Ruiz-Franco, V. Hugouvieux, E. Zaccarelli, C. Micheletti, W. Kob, L. Rovigatti, Journal of Chemical Physics 158 (2023).
LibreCat: https://research-explorer.ista.ac.at/record/12705
DOI: 10.1063/5.0134271
WoS: 000936943800002
PMID: 36813705
arXiv: 2211.04810

A streamlined molecular-dynamics workflow for computing solubilities of molecular and ionic crystals
A. Reinhardt, P.Y. Chew, B. Cheng, Journal of Chemical Physics 159 (2023).
LibreCat: https://research-explorer.ista.ac.at/record/14603
DOI: 10.1063/5.0173341
arXiv: 2308.10886

Computing chemical potentials of solutions from structure factors
B. Cheng, The Journal of Chemical Physics 157 (2022).
LibreCat: https://research-explorer.ista.ac.at/record/12249
DOI: 10.1063/5.0107059
WoS: 000862856000003

Controlling cluster size in 2D phase-separating binary mixtures with specific interactions
I. Palaia, A. Sari, The Journal of Chemical Physics 156 (2022).
LibreCat: https://research-explorer.ista.ac.at/record/11400
DOI: 10.1063/5.0087769
WoS: 000797236000004

Classical nucleation theory predicts the shape of the nucleus in homogeneous solidification
B. Cheng, M. Ceriotti, G.A. Tribello, The Journal of Chemical Physics 152 (2020).
LibreCat: https://research-explorer.ista.ac.at/record/9658
DOI: 10.1063/1.5134461
PMID: 32007057
arXiv: 1910.13481

Intermolecular forces and correlations mediated by a phonon bath
X. Li, E. Yakaboylu, G. Bighin, R. Schmidt, M. Lemeshko, A. Deuchert, The Journal of Chemical Physics 152 (2020).
LibreCat: https://research-explorer.ista.ac.at/record/8587
DOI: 10.1063/1.5144759
WoS: 000530448300001
arXiv: 1912.02658

eGFRD in all dimensions
T.R. Sokolowski, J. Paijmans, L. Bossen, T. Miedema, M. Wehrens, N.B. Becker, K. Kaizu, K. Takahashi, M. Dogterom, P.R. ten Wolde, The Journal of Chemical Physics 150 (2019).
LibreCat: https://research-explorer.ista.ac.at/record/7422
DOI: 10.1063/1.5064867
WoS: 000458109300009
arXiv: 1708.09364

Communication: Computing the Tolman length for solid-liquid interfaces
B. Cheng, M. Ceriotti, The Journal of Chemical Physics 148 (2018).
LibreCat: https://research-explorer.ista.ac.at/record/9659
DOI: 10.1063/1.5038396
PMID: 29935495
arXiv: 1803.09140

The Gibbs free energy of homogeneous nucleation: From atomistic nuclei to the planar limit
B. Cheng, G.A. Tribello, M. Ceriotti, The Journal of Chemical Physics 147 (2017).
LibreCat: https://research-explorer.ista.ac.at/record/9660
DOI: 10.1063/1.4997180
PMID: 28915742
arXiv: 1703.06062

Bridging the gap between atomistic and macroscopic models of homogeneous nucleation
B. Cheng, M. Ceriotti, The Journal of Chemical Physics 146 (2017).
LibreCat: https://research-explorer.ista.ac.at/record/9661
DOI: 10.1063/1.4973883
PMID: 28109231
arXiv: 1610.01322

Theory of attosecond delays in molecular photoionization
D.R. Baykusheva, H.J. Wörner, The Journal of Chemical Physics 146 (2017).
LibreCat: https://research-explorer.ista.ac.at/record/14006
DOI: 10.1063/1.4977933
PMID: 28388142

Kinetics of spontaneous filament nucleation via oligomers: Insights from theory and simulation
A. Sari, T.C.T. Michaels, A. Zaccone, T.P.J. Knowles, D. Frenkel, The Journal of Chemical Physics 145 (2016).
LibreCat: https://research-explorer.ista.ac.at/record/10376
DOI: 10.1063/1.4965040
PMID: 28799382
arXiv: 1610.02320

Non-equilibrium simulations of thermally induced electric fields in water
P. Wirnsberger, D. Fijan, A. Sari, M. Neumann, C. Dellago, D. Frenkel, The Journal of Chemical Physics 144 (2016).
LibreCat: https://research-explorer.ista.ac.at/record/10380
DOI: 10.1063/1.4953036
PMID: 27305991
arXiv: 1602.02734

Direct path integral estimators for isotope fractionation ratios
B. Cheng, M. Ceriotti, The Journal of Chemical Physics 141 (2014).
LibreCat: https://research-explorer.ista.ac.at/record/9662
DOI: 10.1063/1.4904293
PMID: 25554138
arXiv: 1412.1308

The cyclopropene radical cation: Rovibrational level structure at low energies from high-resolution photoelectron spectra
K. Vasilatou, J.M. Michaud, D.R. Baykusheva, G. Grassi, F. Merkt, The Journal of Chemical Physics 141 (2014).
LibreCat: https://research-explorer.ista.ac.at/record/14019
DOI: 10.1063/1.4890744
PMID: 25134581

Thermally induced solid-solid structural transition of copper nanoparticles through direct geometrical conversion
B. Cheng, A.H.W. Ngan, The Journal of Chemical Physics 138 (2013).
LibreCat: https://research-explorer.ista.ac.at/record/9663
DOI: 10.1063/1.4802025
PMID: 23635145