activity
20082021
most citedNWChem: Past, Present, and Future

699 citations · 863 across the 7 of their papers we have counts for

collaborators

10 papers

cond-mat.mtrl-sci20219 cited

Partial Charge Transfer and Absence of Induced Magnetization in EuS(111)/BiSe Heterostructures

Damien Tristant, Ilya Vekhter, Vincent Meunier +1

Heterostructures made from topological and magnetic insulators promise to form excellent platforms for new electronic and spintronic functionalities mediated by interfacial effects…

physics.chem-ph2020699 cited

NWChem: Past, Present, and Future

E. Aprà, E. J. Bylaska, W. A. de Jong +111

Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts…

cond-mat.mes-hall202030 cited

Observation of sixfold degenerate fermions in PdSb

Xiàn Yáng, Tyler A. Cochran, Ramakanta Chapai +16

Three types of fermions have been extensively studied in topological quantum materials: Dirac, Weyl, and Majorana fermions. Beyond the fundamental fermions in high energy physics,…

cond-mat.str-el2019

Flat band magnetism and helical magnetic order in Ni-doped SrCoAs

Yu Li, Zhonghao Liu, Zhuang Xu +15

A series of Sr(CoNi)As single crystals was synthesized allowing a comprehensive phase diagram with respect to field, temperature, and chemical substitution to b…

cond-mat.mes-hall2019

Importance of van der Waals interactions for ab initio studies of topological insulators

K. Shirali, W. A. Shelton, I. Vekhter

We investigate the lattice and electronic structures of the bulk and surface of the prototypical layered topological insulators BiSe and BiTe using ab initio densit…

cond-mat.str-el201930 cited

Fermions and bosons in nonsymmorphic PdSb2 with sixfold degeneracy

Ramakanta Chapai, Yating Jia, W. A. Shelton +6

PdSb2 is a candidate for hosting 6-fold-degenerate exotic fermions (beyond Dirac and Weyl fermions).The nontrivial band crossing protected by the nonsymmorphic symmetry plays a cru…