Berk Hess

Spectroscopy · 2001–2020

A researcher in the Science corpus: 12 papers; trusts 1 researcher and is trusted by 44 researchers here, as inferred from the citation graph.

Subfields

• Spectroscopy — 7 citations into it; #167 of 1,674 by trust here, #65 by citations

Whom Berk Hess trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. Erik Lindahl

Who trusts Berk Hess overall

1. Justin A. Lemkul
2. Semen O. Yesylevskyy
3. Jirasak Wong-ekkabut
4. Szilárd Páll
5. Jia-Feng Yu
6. A. W. Sousa da Silva
7. Mark James Abraham
8. Lars V. Schäfer
9. Michael R. Shirts
10. D. van der Spoel

Papers from Berk Hess's perspective

Ordered by how strongly the researchers Berk Hess trusts endorse each paper. Same corpus, a different order for every researcher.

1. Scalable Algorithms for Molecular Dynamics Simulations on Commodity Clusters (International Conference on Software Composition)
2. How Fast-Folding Proteins Fold (Science)
3. CHARMM: The biomolecular simulation program
4. Everything you wanted to know about Markov State Models but were afraid to ask (Methods)
5. g_wham—A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates
6. The GROMOS software for biomolecular simulation: GROMOS05
7. CHARMM General Force Field (CGenFF): A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields
8. General purpose molecular dynamics simulations fully implemented on graphics processing units (Journal of Computational Physics)
9. Numerical recipes in C
10. Polymorphic transitions in single crystals: A new molecular dynamics method

Their papers

• GROMACS: Fast, flexible, and free (2005) — 17,374 citations
• GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation. (2008) — 15,253 citations
• GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers (2015) — 23,273 citations
• P-LINCS:  A Parallel Linear Constraint Solver for Molecular Simulation. (2008) — 3,589 citations
• Convergence of sampling in protein simulations. (2002) — 380 citations
• GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit (2013) — 7,077 citations
• Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water Models. (2010) — 1,166 citations
• Determining the shear viscosity of model liquids from molecular dynamics simulations (2002) — 729 citations
• Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS (2020) — 790 citations
• Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS (2015) — 921 citations
• A flexible algorithm for calculating pair interactions on SIMD architectures (2013) — 668 citations
• GROMACS 3.0: a package for molecular simulation and trajectory analysis (2001) — 6,280 citations