Publications
Explore 846 academic publications
From molecules to solids with the DMol3 approach
Recent extensions of the DMol3 local orbital density functional method for band structure calculations of insulating and metallic solids are described. Furthermore the method fo...
Finding Structure in Time
Time underlies many interesting human behaviors. Thus, the question of how to represent time in connectionist models is very important. One approach is to represent time implici...
Learning Deep Features for Discriminative Localization
In this work, we revisit the global average pooling layer proposed in [13], and shed light on how it explicitly enables the convolutional neural network (CNN) to have remarkable...
Efficacy and Safety of the mRNA-1273 SARS-CoV-2 Vaccine
The mRNA-1273 vaccine showed 94.1% efficacy at preventing Covid-19 illness, including severe disease. Aside from transient local and systemic reactions, no safety concerns were ...
Quantum cryptography based on Bell’s theorem
Practical application of the generalized Bell's theorem in the so-called key distribution process in cryptography is reported. The proposed scheme is based on the Bohm's version...
Bodies That Matter
In Bodies That Matter, renowned theorist and philosopher Judith Butler argues that theories of gender need to return to the most material dimension of sex and sexuality: the bod...
Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
An extended basis set of atomic functions expressed as fixed linear combinations of Gaussian functions is presented for hydrogen and the first-row atoms carbon to fluorine. In t...
The Optical Properties of Metal Nanoparticles: The Influence of Size, Shape, and Dielectric Environment
The optical properties of metal nanoparticles have long been of interest in physical chemistry, starting with Faraday's investigations of colloidal gold in the middle 1800s. Mor...
First‐Year <i>Wilkinson Microwave Anisotropy Probe</i> ( <i>WMAP</i> ) Observations: Determination of Cosmological Parameters
WMAP precision data enables accurate testing of cosmological models. We find that the emerging standard model of cosmology, a flat Λ−dominated universe seeded by a nearly scalei...