Publications

2021

J. Bachmann, N.L. Doltsinis
Adaptive partitioning molecular dynamics using an extended Hamiltonian approach
J. Chem. Phys. 155, 144104 (2021)

T. Koch, J. Bachmann, T. Lettmann, N.L. Doltsinis
Multiscale modelling of charge transport in P3HT:DIPBI bulk heterojunction organic solar cells
Phys. Chem. Chem. Phys. 23, 12233 (2021)

2020

J. Bachmann, I. Schönrath, J. Müller, and N.L. Doltsinis
Dynamic Structure and Stability of DNA Duplexes Bearing a Dinuclear Hg(II)-Mediated Base Pair
Molecules 25, 4942 (2020)

2019

N. Sandmann, J. Bachmann, A. Hepp, N.L. Doltsinis, J. Müller
Copper(II)-mediated base pairing involving the artificial nucleobase 3H-imidazo-[4,5-f]quinolin-5-ol
Dalton Trans. 48 (2019) 10505-10515

2018

N.L. Doltsinis, J. Bachmann, T. Koch, C. Schwermann, T. Winands
Trendbericht Theoretische Chemie 2017: Optimierung organischer Solarzellen mit Multiskalensimulationen
Nachrichten aus der Chemie, 66 (2018) 320-324