Scaling molecular dynamics beyond 100,000 processor cores for large‐scale biophysical simulations Read more about Scaling molecular dynamics beyond 100,000 processor cores for large‐scale biophysical simulations
Soliton diffusion in a Bose-Einstein condensate: A signature of the analogue Hawking radiation Read more about Soliton diffusion in a Bose-Einstein condensate: A signature of the analogue Hawking radiation
Stern-Gerlach deflection of optical Thirring solitons in a coherent atomic system Read more about Stern-Gerlach deflection of optical Thirring solitons in a coherent atomic system
Gate tunable optical absorption and band structure of twisted bilayer graphene Read more about Gate tunable optical absorption and band structure of twisted bilayer graphene
Weakly bound molecular dimers: Intramolecular vibrational fundamentals, overtones, and tunneling splittings from full-dimensional quantum calculations using compact contracted bases of intramolecular and low-energy rigidmonomer intermolecular eigenstates Read more about Weakly bound molecular dimers: Intramolecular vibrational fundamentals, overtones, and tunneling splittings from full-dimensional quantum calculations using compact contracted bases of intramolecular and low-energy rigidmonomer intermolecular eigenstates
Ab initio molecular dynamics study of hydroxide diffusion mechanisms in nanoconfined structural mimics of anion exchange membranes Read more about Ab initio molecular dynamics study of hydroxide diffusion mechanisms in nanoconfined structural mimics of anion exchange membranes
Synthesis of aromatic anion exchange membranes by Friedel–Crafts bromoalkylation and cross-linking of polystyrene block copolymers Read more about Synthesis of aromatic anion exchange membranes by Friedel–Crafts bromoalkylation and cross-linking of polystyrene block copolymers
Combining iteration-free polarization with large time step stochastic-isokinetic integration Read more about Combining iteration-free polarization with large time step stochastic-isokinetic integration
Atomic structures and deletion mutant reveal different capsid-binding patterns and functional significance of tegument protein pp150 in murine and human cytomegaloviruses with implications for therapeutic development Read more about Atomic structures and deletion mutant reveal different capsid-binding patterns and functional significance of tegument protein pp150 in murine and human cytomegaloviruses with implications for therapeutic development
Influence of the protein environment on the electronic excitation of chromophores in the phycoerythrin 545 light-harvesting complex: A combined MD-QM/MM method with polarized protein-specific charge scheme Read more about Influence of the protein environment on the electronic excitation of chromophores in the phycoerythrin 545 light-harvesting complex: A combined MD-QM/MM method with polarized protein-specific charge scheme