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Chemotaxis in a binary mixture of active and passive particles
Chemotaxis in a binary mixture of active and passive particles
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Chemotaxis in a binary mixture of active and passive particles

Stürmer, Julian ; Seyrich, Maximilian ; Stark, Holger

The Journal of chemical physics, 2019-06, Vol.150 (21), p.214901-214901 [Periódico revisado por pares]

United States: American Institute of Physics

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reaxFF Reactive Force Field for Disulfide Mechanochemistry, Fitted to Multireference ab Initio Data
reaxFF Reactive Force Field for Disulfide Mechanochemistry, Fitted to Multireference ab Initio Data
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reaxFF Reactive Force Field for Disulfide Mechanochemistry, Fitted to Multireference ab Initio Data

Müller, Julian ; Hartke, Bernd

Journal of chemical theory and computation, 2016-08, Vol.12 (8), p.3913-3925 [Periódico revisado por pares]

United States: American Chemical Society

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3
Dynamical mean-field theory and weakly non-linear analysis for the phase separation of active Brownian particles
Dynamical mean-field theory and weakly non-linear analysis for the phase separation of active Brownian particles
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Dynamical mean-field theory and weakly non-linear analysis for the phase separation of active Brownian particles

Speck, Thomas ; Menzel, Andreas M ; Bialké, Julian ; Löwen, Hartmut

The Journal of chemical physics, 2015-06, Vol.142 (22), p.224109-224109 [Periódico revisado por pares]

United States: American Institute of Physics

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4
Bottom-to-top modeling of epoxy resins: From atomic models to mesoscale fracture mechanisms
Bottom-to-top modeling of epoxy resins: From atomic models to mesoscale fracture mechanisms
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Bottom-to-top modeling of epoxy resins: From atomic models to mesoscale fracture mechanisms

Konrad, Julian ; Zahn, Dirk

The Journal of chemical physics, 2024-01, Vol.160 (2) [Periódico revisado por pares]

United States: American Institute of Physics

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5
Reduction pathway of glutaredoxin 1 investigated with QM/MM molecular dynamics using a neural network correction
Reduction pathway of glutaredoxin 1 investigated with QM/MM molecular dynamics using a neural network correction
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Reduction pathway of glutaredoxin 1 investigated with QM/MM molecular dynamics using a neural network correction

Böser, Julian ; Kubař, Tomáš ; Elstner, Marcus ; Maag, Denis

The Journal of chemical physics, 2022-10, Vol.157 (15), p.154104-154104 [Periódico revisado por pares]

Melville: American Institute of Physics

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6
Intramolecular charge transfer and solvation dynamics of push-pull dyes with different π-conjugated linkers
Intramolecular charge transfer and solvation dynamics of push-pull dyes with different π-conjugated linkers
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Intramolecular charge transfer and solvation dynamics of push-pull dyes with different π-conjugated linkers

Niu, Xinmiao ; Gautam, Prabhat ; Kuang, Zhuoran ; Yu, Craig P ; Guo, Yuanyuan ; Song, Hongwei ; Guo, Qianjin ; Chan, Julian M. W ; Xia, Andong

Physical chemistry chemical physics : PCCP, 2019-08, Vol.21 (31), p.17323-17331 [Periódico revisado por pares]

England: Royal Society of Chemistry

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7
NMR Study of the Degradation Products of Ethylene Carbonate in Silicon–Lithium Ion Batteries
NMR Study of the Degradation Products of Ethylene Carbonate in Silicon–Lithium Ion Batteries
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NMR Study of the Degradation Products of Ethylene Carbonate in Silicon–Lithium Ion Batteries

Jin, Yanting ; Kneusels, Nis-Julian H ; Grey, Clare P

The journal of physical chemistry letters, 2019-10, Vol.10 (20), p.6345-6350 [Periódico revisado por pares]

American Chemical Society

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8
Signatures of exciton dynamics and interaction in coherently and fluorescence-detected four- and six-wave-mixing two-dimensional electronic spectroscopy
Signatures of exciton dynamics and interaction in coherently and fluorescence-detected four- and six-wave-mixing two-dimensional electronic spectroscopy
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Signatures of exciton dynamics and interaction in coherently and fluorescence-detected four- and six-wave-mixing two-dimensional electronic spectroscopy

Malý, Pavel ; Mueller, Stefan ; Lüttig, Julian ; Lambert, Christoph ; Brixner, Tobias

The Journal of chemical physics, 2020-10, Vol.153 (14), p.144204-144204 [Periódico revisado por pares]

Melville: American Institute of Physics

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9
Anisotropy in fifth-order exciton–exciton-interaction two-dimensional spectroscopy
Anisotropy in fifth-order exciton–exciton-interaction two-dimensional spectroscopy
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Anisotropy in fifth-order exciton–exciton-interaction two-dimensional spectroscopy

Lüttig, Julian ; Brixner, Tobias ; Malý, Pavel

The Journal of chemical physics, 2021-04, Vol.154 (15), p.154202-154202 [Periódico revisado por pares]

United States: American Institute of Physics

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10
Exploiting Ligand Additivity for Transferable Machine Learning of Multireference Character across Known Transition Metal Complex Ligands
Exploiting Ligand Additivity for Transferable Machine Learning of Multireference Character across Known Transition Metal Complex Ligands
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Exploiting Ligand Additivity for Transferable Machine Learning of Multireference Character across Known Transition Metal Complex Ligands

Duan, Chenru ; Ladera, Adriana J. ; Liu, Julian C.-L. ; Taylor, Michael G. ; Ariyarathna, Isuru R. ; Kulik, Heather J.

Journal of chemical theory and computation, 2022-08, Vol.18 (8), p.4836-4845 [Periódico revisado por pares]

Washington: American Chemical Society

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