Concepedia

Cold denaturation induces inversion of dipole and spin transfer in chiral peptide monolayers

Meital Eckshtain‐Levi, Eyal Capua, Sivan Refaely‐Abramson, Soumyajit Sarkar, Yulian Gavrilov, S. P. Mathew, Yossi Paltiel, Yaakov Levy, Leeor Kronik, Ron Naaman

Nature Communications · 2016 · 111 citations · 43 references

Open access

References

43

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text

Numerical Analysis, Engineering, Machine Learning +19

LINCS: A linear constraint solver for molecular simulations

Berk Hess, Henk Bekker, Herman J. C. Berendsen et al. · Journal of Computational Chemistry · 1997 · 16.6K citations

Linear Constraint Solver, Bond Constraints, Molecular Sciences +15

GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

Berk Hess, Carsten Kutzner, David van der Spoel et al. · Journal of Chemical Theory and Computation · 2008 · 15.8K citations

Cluster Computing, Engineering, Molecular Biology +21

Electronic excitations: density-functional versus many-body Green’s-function approaches

Giovanni Onida, Lucia Reining, Ángel Rubio · Reviews of Modern Physics · 2002 · 4K citations · Full text

Quantum Science, Excited State Property, Charge Excitations +15

P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation

Berk Hess · Journal of Chemical Theory and Computation · 2007 · 3.9K citations

Domain Decomposition, Engineering, Geometric Constraint Solving +14