1. Quantum effects on dislocation motion from ring-polymer molecular dynamics. (December 2018) Authors: Freitas, Rodrigo; Asta, Mark; Bulatov, Vasily Journal: Npj computational materials Issue: Volume 4:issue 1(2018) Page Start: 1 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Design of 2D massless Dirac fermion systems and quantum spin Hall insulators based on sp–sp2 carbon sheets. (December 2018) Authors: Park, Minwoo; Kim, Youngkuk; Lee, Hoonkyung Journal: Npj computational materials Issue: Volume 4:issue 1(2018) Page Start: 1 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. First-principles calculation of intrinsic defect chemistry and self-doping in PbTe. (December 2017) Authors: Goyal, Anuj; Gorai, Prashun; Toberer, Eric; Stevanović, Vladan Journal: Npj computational materials Issue: Volume 3:issue 1(2017) Page Start: 1 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Ferroic glasses. (December 2017) Authors: Ji, Yuanchao; Wang, Dong; Wang, Yu; Zhou, Yumei; Xue, Dezhen; Otsuka, Kazuhiro; Wang, Yunzhi; Ren, Xiaobing Journal: Npj computational materials Issue: Volume 3:issue 1(2017) Page Start: 1 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. The origin of uniaxial negative thermal expansion in layered perovskites. (December 2017) Authors: Ablitt, Chris; Craddock, Sarah; Senn, Mark; Mostofi, Arash; Bristowe, Nicholas Journal: Npj computational materials Issue: Volume 3:issue 1(2017) Page Start: 1 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library. (December 2017) Authors: Plata, Jose; Nath, Pinku; Usanmaz, Demet; Carrete, Jesús; Toher, Cormac; Jong, Maarten; Asta, Mark; Fornari, Marco; Nardelli, Marco; Curtarolo, Stefano Journal: Npj computational materials Issue: Volume 3:issue 1(2017) Page Start: 1 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Theory, simulations and the design of functionalized nanoparticles for biomedical applications: A Soft Matter Perspective. (December 2017) Authors: Angioletti-Uberti, Stefano Journal: Npj computational materials Issue: Volume 3:issue 1(2017) Page Start: 1 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. First-principles prediction of high-entropy-alloy stability. (December 2017) Authors: Feng, Rui; Liaw, Peter; Gao, Michael; Widom, Michael Journal: Npj computational materials Issue: Volume 3:issue 1(2017) Page Start: 1 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. First-principles screening of structural properties of intermetallic compounds on martensitic transformation. (December 2017) Authors: Lee, Joohwi; Ikeda, Yuji; Tanaka, Isao Journal: Npj computational materials Issue: Volume 3:issue 1(2017) Page Start: 1 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Publisher Correction: First-principles calculation of intrinsic defect chemistry and self-doping in PbTe. (December 2017) Authors: Goyal, Anuj; Gorai, Prashun; Toberer, Eric; Stevanović, Vladan Journal: Npj computational materials Issue: Volume 3:issue 1(2017) Page Start: 1 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗