✦ LIBER ✦

A Hamiltonian electrostatic coupling scheme for hybrid Car–Parrinello molecular dynamics simulations

✍ Scribed by Laio, Alessandro; VandeVondele, Joost; Rothlisberger, Ursula

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A regularized and renormalized electrost

✍ Biswas, P. K.; Gogonea, V. 📂 Article 📅 2005 🏛 American Institute of Physics 🌐 English ⚖ 409 KB

Asymptotic Extrapolation Scheme for Larg

✍ Kowalski, Karol; Valiev, Marat 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 62 KB

A Combined Car−Parrinello QM/MM Implemen

✍ Woo, Tom K.; Margl, Peter M.; Blöchl, Peter E.; Ziegler, Tom 📂 Article 📅 1997 🏛 American Chemical Society 🌐 English ⚖ 224 KB

A hybrid electronic-density-functional/m

✍ Shuji Ogata; Rachid Belkada 📂 Article 📅 2004 🏛 Elsevier Science 🌐 English ⚖ 430 KB