Influence of Chain Rigidity and Dielectric Constant on the Glass Transition Temperature in Polymerized Ionic Liquids Journal November, 2017
Relevance of the Nuclear Quantum Effects on the Proton/Deuteron Transmission through Hexagonal Boron Nitride and Graphene Monolayers Journal November, 2017
Below-Room-Temperature C–H Bond Breaking on an Inexpensive Metal Oxide: Methanol to Formaldehyde on CeO2(111) Journal November, 2017
Accuracy of ab initio electron correlation and electron densities in vanadium dioxide Journal November, 2017
Delayed Slater determinant update algorithms for high efficiency quantum Monte Carlo Journal November, 2017
Ab Initio Predictions of Hexagonal Zr(B,C,N) Polymorphs for Coherent Interface Design Journal October, 2017
Combining configurational energies and forces for molecular force field optimization Journal October, 2017
