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Groenhof, Gerrit
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1

phbuilder: A Tool for Efficiently Setting up Constant pH Mo..:

Jansen, Anton ; Aho, Noora ; Groenhof, Gerrit..
Journal of Chemical Information and Modeling.  64 (2024)  3 - p. 567-574 , 2024
Link: https://doi.org/10.1021/..
 
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2

Non-Hermitian molecular dynamics simulations of exciton–pol..:

Sokolovskii, Ilia ; Groenhof, Gerrit
The Journal of Chemical Physics.  160 (2024)  9 - p. , 2024
Link: https://doi.org/10.1063/..
 
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3

Photochemical initiation of polariton-mediated exciton prop..:

Sokolovskii, Ilia ; Groenhof, Gerrit
Nanophotonics.  13 (2024)  14 - p. 2687-2694 , 2024
Link: https://doi.org/10.1515/..
 
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4

Alternant Hydrocarbon Diradicals as Optically Addressable M..:

Poh, Yong Rui ; Morozov, Dmitry ; Kazmierczak, Nathanael P....
Journal of the American Chemical Society.  146 (2024)  22 - p. 15549-15561 , 2024
Link: https://doi.org/10.1021/..
 
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5

Multi-scale molecular dynamics simulations of enhanced ener..:

Sokolovskii, Ilia ; Tichauer, Ruth H. ; Morozov, Dmitry..
Nature Communications.  14 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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6

gmXtal: Cooking Crystals with GROMACS:

Buslaev, Pavel ; Groenhof, Gerrit
The Protein Journal.  43 (2023)  2 - p. 200-206 , 2023
Link: https://doi.org/10.1007/..
 
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7

Tuning the Coherent Propagation of Organic Exciton‐Polarito..:

Tichauer, Ruth H. ; Sokolovskii, Ilia ; Groenhof, Gerrit
Advanced Science.  10 (2023)  33 - p. , 2023
Link: https://doi.org/10.1002/..
 
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8

Serial Femtosecond Crystallography Reveals that Photoactiva..:

Fadini, Alisia ; Hutchison, Christopher D.M. ; Morozov, Dmitry...
Journal of the American Chemical Society.  145 (2023)  29 - p. 15796-15808 , 2023
Link: https://doi.org/10.1021/..
 
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9

Best Practices in Constant pH MD Simulations: Accuracy and ..:

Buslaev, Pavel ; Aho, Noora ; Jansen, Anton...
Journal of Chemical Theory and Computation.  18 (2022)  10 - p. 6134-6147 , 2022
Link: https://doi.org/10.1021/..
 
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10

Scalable Constant pH Molecular Dynamics in GROMACS:

Aho, Noora ; Buslaev, Pavel ; Jansen, Anton...
Journal of Chemical Theory and Computation.  18 (2022)  10 - p. 6148-6160 , 2022
Link: https://doi.org/10.1021/..
 
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11

Controlling Exciton Propagation in Organic Crystals through..:

Berghuis, Anton Matthijs ; Tichauer, Ruth H. ; de Jong, Lianne M. A....
ACS Photonics.  9 (2022)  7 - p. 2263-2272 , 2022
Link: https://doi.org/10.1021/..
 
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12

Identifying Vibrations that Control Non-adiabatic Relaxatio..:

Tichauer, Ruth H. ; Morozov, Dmitry ; Sokolovskii, Ilia..
The Journal of Physical Chemistry Letters.  13 (2022)  27 - p. 6259-6267 , 2022
Link: https://doi.org/10.1021/..
 
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13

The Photocycle of Bacteriophytochrome Is Initiated by Count..:

Morozov, Dmitry ; Modi, Vaibhav ; Mironov, Vladimir.
The Journal of Physical Chemistry Letters.  13 (2022)  20 - p. 4538-4542 , 2022
Link: https://doi.org/10.1021/..
 
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14

Covalent and non-covalent coupling of a Au102 nanocluster w..:

Hulkko, Eero ; Lahtinen, Tanja ; Marjomäki, Varpu...
Nanoscale Advances.  3 (2021)  23 - p. 6649-6658 , 2021
Link: https://doi.org/10.1039/..
 
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15

Multi-scale dynamics simulations of molecular polaritons: T..:

Tichauer, Ruth H. ; Feist, Johannes ; Groenhof, Gerrit
The Journal of Chemical Physics.  154 (2021)  10 - p. , 2021
Link: https://doi.org/10.1063/..
 
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