References in zbMATH (referenced in 13 articles )

Showing results 1 to 13 of 13.
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  1. Tutone, Marco; Virzì, Alessia; Almerico, Anna Maria: Reverse screening on indicaxanthin from \textitOpuntiaficus-indica as natural chemoactive and chemopreventive agent (2018)
  2. Mark James Abraham; Teemu Murtola; Roland Schulz; Szilárd Páll; Jeremy C.Smith; Berk Hess; Erik Lindahl: GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers (2015) not zbMATH
  3. Jie, Liang; Li, KenLi; Shi, Lin; Liu, RangSu; Mei, Jing: Accelerating solidification process simulation for large-sized system of liquid metal atoms using GPU with CUDA (2014)
  4. Krause, Dorian; Fackeldey, Konstantin; Krause, Rolf: A parallel multiscale simulation toolbox for coupling molecular dynamics and finite elements (2014)
  5. Pal, Anirban; Agarwala, Abhishek; Raha, Soumyendu; Bhattacharya, Baidurya: Performance metrics in a hybrid MPI-OpenMP based molecular dynamics simulation with short-range interactions (2014) ioport
  6. Tripathi, Sunil Kumar; Muttineni, Ravikumar; Singh, Sanjeev Kumar: Extra precision docking, free energy calculation and molecular dynamics simulation studies of CDK2 inhibitors (2013)
  7. Aktulga, H. M.; Fogarty, J. C.; Pandit, S. A.; Grama, A. Y.: Parallel reactive molecular dynamics: numerical methods and algorithmic techniques (2012) ioport
  8. Gonnet, Pedro: A short note on the fast evaluation of dihedral angle potentials and their derivatives (2012)
  9. Gonnet, Pedro: Using piecewise polynomials for faster potential function evaluation (2010)
  10. Mazzeo, M. D.; Ricci, M.; Zannoni, C.: The linked neighbour list (LNL) method for fast off-lattice Monte Carlo simulations of fluids (2010)
  11. M. N. Bannerman, R. Sargant, L. Lue: DynamO: A free O(N) general event-driven molecular-dynamics simulator (2010) arXiv
  12. Numrich, Robert W.; Heroux, Michael A.: A performance model with a fixed point for a molecular dynamics kernel (2009) ioport
  13. Liu, Weiguo; Schmidt, Bertil; Voss, Gerrit; Müller-Wittig, Wolfgang: Accelerating molecular dynamics simulations using graphics processing units with CUDA (2008) ioport