H. Forbert

发表

Converged quantum simulations of reactive solutes in superfluid helium: The Bochum perspective.

D. Marx, F. Brieuc, Christoph Schran, 2020, The Journal of chemical physics.

Aqueous TMAO solutions as seen by theoretical THz spectroscopy: hydrophilic versus hydrophobic water.

D. Marx, H. Forbert, S. Imoto, 2018, Physical chemistry chemical physics : PCCP.

Fourth-order algorithms for solving the multivariable Langevin equation and the Kramers equation.

H. Forbert, S. Chin, H A Forbert, 2001, Physical review. E, Statistical, nonlinear, and soft matter physics.

Solvation of molecules in superfluid helium enhances the "interaction induced localization" effect.

Dominik Marx, Harald Forbert, Łukasz Walewski, 2014, The Journal of chemical physics.

A fourth order diffusion monte carlo algorithm for solving quantum many-body problems

Siu A. Chin, H. Forbert, S. Chin, 2000, nucl-th/0009068.

Understanding THz spectra of aqueous solutions: glycine in light and heavy water.

D. Marx, H. Forbert, G. Schwaab, 2014, Journal of the American Chemical Society.

Toward theoretical terahertz spectroscopy of glassy aqueous solutions: partially frozen solute-solvent couplings of glycine in water.

D. Marx, P. Gupta, H. Forbert, 2019, Physical chemistry chemical physics : PCCP.

Hydrophilic Solvation Dominates the Terahertz Fingerprint of Amino Acids in Water.

D. Marx, H. Forbert, G. Schwaab, 2017, The journal of physical chemistry. B.

Dissecting the THz spectrum of liquid water from first principles via correlations in time and space

Jian Sun, Dominik Marx, Stefan Funkner, 2010, Proceedings of the National Academy of Sciences.

Correlations in the Solute-Solvent Dynamics Reach Beyond the First Hydration Shell of Ions.

D. Marx, H. Forbert, G. Schwaab, 2017, The journal of physical chemistry letters.

Understanding the Origins of Dipolar Couplings and Correlated Motion in the Vibrational Spectrum of Water.

D. Marx, G. Mathias, M. Heyden, 2012, The journal of physical chemistry letters.

Internal Electric Field-Induced Formation of Exotic Linear Acetonitrile Chains.

D. Marx, H. Forbert, G. Schwaab, 2022, The journal of physical chemistry letters.

Quantum Induced Bond Centering in Microsolvated HCl: Solvent Separated versus Contact Ion Pairs

Dominik Marx, Harald Forbert, Łukasz Walewski, 2011 .

Aggregation-induced chemical reactions: acid dissociation in growing water clusters.

D. Marx, H. Forbert, Anna Kaczmarek-Kȩdziera, 2011, Journal of the American Chemical Society.

Connecting structure to infrared spectra of molecular and autodissociated HCl--water aggregates.

D. Marx, H. Forbert, M. Masia, 2007, The journal of physical chemistry. A.

Fourth-order algorithms for solving the multivariable Langevin equation and the Kramers equation.

H. Forbert, S. Chin, 2000, Physical review. E, Statistical, nonlinear, and soft matter physics.

Probing Local Electrostatics of Glycine in Aqueous Solution by THz Spectroscopy

D. Marx, H. Forbert, G. Schwaab, 2020, Angewandte Chemie.

Tagging effects on the mid-infrared spectrum of microsolvated protonated methane† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc04040g

D. Marx, H. Forbert, A. Esser, 2017, Chemical science.

Microsolvation of protonated methane: structures and energetics of CH5(+)(H2)n.

S. D. Ivanov, D. Marx, H. Forbert, 2008, The journal of physical chemistry. A.

A fourth order diffusion monte carlo algorithm for solving quantum many-body problems

H. Forbert, S. Chin, 2000, nucl-th/0009068.

Coupled Cluster Molecular Dynamics of Condensed Phase Systems Enabled by Machine Learning Potentials: Liquid Water Benchmark.

J. Behler, D. Marx, H. Forbert, 2022, Physical review letters.

Reactive path integral quantum simulations of molecules solvated in superfluid helium

Dominik Marx, Lukasz Walewski, Harald Forbert, 2014, Comput. Phys. Commun..

On the applicability of centroid and ring polymer path integral molecular dynamics for vibrational spectroscopy.

Dominik Marx, Sergei D Ivanov, S. D. Ivanov, 2009, The Journal of chemical physics.

Aggregation-Induced Dissociation of HCl(H2O)4 Below 1 K: The Smallest Droplet of Acid

D. Marx, H. Forbert, G. Schwaab, 2009, Science.

Solvation shell resolved THz spectra of simple aqua ions - distinct distance- and frequency-dependent contributions of solvation shells.

D. Marx, H. Forbert, Maciej Śmiechowski, 2015, Physical chemistry chemical physics : PCCP.

Spatial decomposition and assignment of infrared spectra of simple ions in water from mid-infrared to THz frequencies: Li(+)(aq) and F(-)(aq).

D. Marx, H. Forbert, Maciej Śmiechowski, 2013, The Journal of chemical physics.

Water structure and solvation of osmolytes at high hydrostatic pressure: pure water and TMAO solutions at 10 kbar versus 1 bar.

D. Marx, H. Forbert, S. Imoto, 2015, Physical chemistry chemical physics : PCCP.

Constructing accurate interaction potentials to describe the microsolvation of protonated methane by helium atoms.

D. Marx, G. Jansen, Felix Uhl, 2017, Physical chemistry chemical physics : PCCP.

Adding flexibility to the "particles-on-a-sphere" model for large-amplitude motion: POSflex force field for protonated methane.

D. Marx, Felix Uhl, H. Forbert, 2014, The Journal of chemical physics.

Settling the Long-Standing Debate on the Proton Storage Site of the Prototype Light-Driven Proton Pump Bacteriorhodopsin.

D. Marx, H. Forbert, R. Tripathi, 2019, The journal of physical chemistry. B.

4He on weakly attractive substrates: Structure, stability, and wetting behavior

H. Forbert, B. Clements, M. Saarela, 1994 .

Dynamics of quantum films

H. Forbert, B. Clements, C. Tymczak, 1994 .

Quantum expulsion of impurities from a Bose–Einstein condensate

H. Forbert, S. Chin, 2000 .

Ab Initio Molecular Dynamics Simulations of Aqueous Glycine Solutions: Solvation Structure and Vibrational Spectra

D. Marx, H. Forbert, Jian Sun, 2010 .

Constructing simple yet accurate potentials for describing the solvation of HCl/water clusters in bulk helium and nanodroplets.

D. Marx, G. Jansen, H. Forbert, 2011, Physical chemistry chemical physics : PCCP.

Glycine in aqueous solution: solvation shells, interfacial water, and vibrational spectroscopy from ab initio molecular dynamics.

D. Marx, H. Forbert, Jian Sun, 2010, The Journal of chemical physics.

Revealing the subtle interplay of thermal and quantum fluctuation effects on contact ion pairing in microsolvated HCl.

D. Marx, H. Forbert, Łukasz Walewski, 2013, Chemphyschem : a European journal of chemical physics and physical chemistry.

Acid solvation versus dissociation at “stardust conditions”: Reaction sequence matters

D. Marx, B. Redlich, H. Forbert, 2019, Science Advances.

Aqueous TMAO solution under high hydrostatic pressure.

D. Marx, H. Forbert, S. Imoto, 2021, Physical chemistry chemical physics : PCCP.

Dielectric relaxation of water: assessing the impact of localized modes, translational diffusion, and collective dynamics.

D. Marx, H. Forbert, C. Hölzl, 2021, Physical Chemistry, Chemical Physics - PCCP.

Elucidating the Self-cleavage Dynamics of Hairpin Ribozyme by Mode-decomposed Infrared Spectroscopy.

D. Marx, H. Forbert, Jan Noetzel, 2023, The journal of physical chemistry letters.

Dissecting the THz spectrum of liquid water from first principles via correlations in time and space

D. Marx, G. Mathias, M. Heyden, 2010, Proceedings of the National Academy of Sciences.