Publications
Explore 4,368 academic publications
A social-cognitive approach to motivation and personality.
Past work has documented and described major patterns of adaptive and maladaptive behavior: the mastery-oriented and the helpless patterns. In this article, we present a researc...
A Closed-Form Solution for Options with Stochastic Volatility with Applications to Bond and Currency Options
Journal Article A Closed-Form Solution for Options with Stochastic Volatility with Applications to Bond and Currency Options Get access Steven L. Heston Steven L. Heston Yale Un...
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
An improved way of estimating the local tangent in the nudged elastic band method for finding minimum energy paths is presented. In systems where the force along the minimum ene...
Estimation of the surface free energy of polymers
Abstract A method for measuring the surface energy of solids and for resolving the surface energy into contributions from dispersion and dipole‐hydrogen bonding forces has been ...
Learning from Imbalanced Data
With the continuous expansion of data availability in many large-scale, complex, and networked systems, such as surveillance, security, Internet, and finance, it becomes critica...
Analysis of Gene Diversity in Subdivided Populations
A method is presented by which the gene diversity (heterozygosity) of a subdivided population can be analyzed into its components, i.e., the gene diversities within and between ...
CHARMM: The biomolecular simulation program
Abstract CHARMM (Chemistry at HARvard Molecular Mechanics) is a highly versatile and widely used molecular simulation program. It has been developed over the last three decades ...
CHARMM‐GUI: A web‐based graphical user interface for CHARMM
Abstract CHARMM is an academic research program used widely for macromolecular mechanics and dynamics with versatile analysis and manipulation tools of atomic coordinates and dy...
The human brain is intrinsically organized into dynamic, anticorrelated functional networks
During performance of attention-demanding cognitive tasks, certain regions of the brain routinely increase activity, whereas others routinely decrease activity. In this study, w...
Revealing Noncovalent Interactions
Molecular structure does not easily identify the intricate noncovalent interactions that govern many areas of biology and chemistry, including design of new materials and drugs....