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The Journal of Chemical Physics|August 12, 2017
Overview: Experimental studies of crystal nucleation: Metals and colloidsDieter M Herlach, Thomas Palberg, Ina Klassen, et al.
The Journal of Chemical Physics|August 12, 2017
Overview: Understanding nucleation phenomena from simulations of lattice gas modelsKurt Binder, Peter Virnau
The Journal of Chemical Physics|September 24, 2017
An ab initio study of the electronic structure of indium and gallium chalcogenide bilayersT Ayadi, L Debbichi, M Said, et al.
The Journal of Chemical Physics|September 24, 2017
Entropy based fingerprint for local crystalline orderPablo M Piaggi, Michele Parrinello
The Journal of Chemical Physics|September 24, 2017
A robust variant of block Jacobi-Davidson for extracting a large number of eigenpairs: Application to grid-based real-space density functional theoryM Lee, K Leiter, C Eisner, et al.
The Journal of Chemical Physics|September 24, 2017
Single molecule translocation in smectics illustrates the challenge for time-mapping in simulations on multiple scalesBiswaroop Mukherjee, Christine Peter, Kurt Kremer
The Journal of Chemical Physics|September 24, 2017
Spectroscopic properties of photosystem II reaction center revisitedAndrius Gelzinis, Darius Abramavicius, Jennifer P Ogilvie, et al.
The Journal of Chemical Physics|September 24, 2017
Verlet-like algorithms for Car-Parrinello molecular dynamics with unequal electronic occupationsArcesio Castañeda Medina, Rochus Schmid
The Journal of Chemical Physics|September 24, 2017
Charge-transfer mobility and electrical conductivity of PANI as conjugated organic semiconductorsYahong Zhang, Yuping Duan, Lulu Song, et al.
The Journal of Chemical Physics|September 24, 2017
Solvation structure and dynamics of Ag+ in aqueous ammonia solutions: A molecular simulation studyStefano Sansotta, Dirk Zahn
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