Rochus Schmid

According to our database, Rochus Schmid authored at least 6 papers between 2004 and 2021.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of five.

2021

An automatized workflow from molecular dynamic simulation to quantum chemical methods to identify elementary reactions and compute reaction constants.

Gunnar Schmitz, Özlem Yönder, Bastian Schnieder, Rochus Schmid, Christof Hättig

J. Comput. Chem., 2021

2019

Solution of high order compact discretized 3D elliptic partial differential equations by an accelerated multigrid method.

Arcesio Castañeda Medina, Rochus Schmid

J. Comput. Appl. Math., 2019

2015

QuickFF: A program for a quick and easy derivation of force fields for metal-organic frameworks from <i>ab initio</i> input.

Louis Vanduyfhuys, Steven Vandenbrande, Toon Verstraelen, Rochus Schmid, Michel Waroquier, Veronique Van Speybroeck

J. Comput. Chem., 2015

2007

Ab initio parametrized MM3 force field for the metal-organic framework MOF-5.

Maxim Tafipolsky, Saeed Amirjalayer, Rochus Schmid

J. Comput. Chem., 2007

2005

Calculation of rotational partition functions by an efficient Monte Carlo importance sampling technique.

Maxim Tafipolsky, Rochus Schmid

J. Comput. Chem., 2005

2004

Car-Parrinello simulations with a real space method.

Rochus Schmid

J. Comput. Chem., 2004