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This article presents a new and efficient alternative to well established algorithms for molecular geometry optimization. The new approach exploits the approximate decoupling of molecular energetics in a curvilinear internal coordinate…
During the last several years remarkable progress has been made in numerical calculations of dimensionally regulated multi-loop Feynman diagrams using Mellin-Barnes (MB) representations. The bottlenecks were non-planar diagrams and…
We present a novel algorithm which can overcome the drawbacks of the conventional linear scaling method with minimal computational overhead. This is achieved by introducing additional constraints, thus eliminating the redundancy of the…
The conformal mapping of the Borel plane can be utilized for the analytic continuation of the Borel transform to the entire positive real semi-axis and is thus helpful in the resummation of divergent perturbation series in quantum field…
The search for topological superconductors has recently become a key issue in condensed matter physics, because of their possible relevance to provide a platform for Majorana bound states, non-Abelian statistics, and fault-tolerant quantum…
We use conformal maps to study a free boundary problem for a two-fluid electromechanical system, where the interface between the fluids is determined by the combined effects of electrostatic forces, gravity and surface tension. The free…
Statistical uncertainties complicate engineering design -- confounding regulated design approaches, and degrading the performance of reliability efforts. The simplest means to tackle this uncertainty is double loop simulation; a nested…
This paper investigates the use of multiple directions of stratification as a variance reduction technique for Monte Carlo simulations of path-dependent options driven by Gaussian vectors. The precision of the method depends on the choice…
In this paper, we propose a novel trajectory optimization algorithm for mobile manipulators under end-effector path, collision avoidance and various kinematic constraints. Our key contribution lies in showing how this highly non-linear and…
Simulation is a valuable tool for traffic management experts to assist them in refining and improving transportation systems and anticipating the impact of possible changes in the infrastructure network before their actual implementation.…
Extensive studies on thin films indicated a generic cubic current-voltage $I-V$ dependence as a salient feature of charge transport by tunneling. A quick glance at $I-V$ data for molecular junctions suggests a qualitatively similar…
In recent years, non-parametric methods utilizing random walks on graphs have been used to solve a wide range of machine learning problems, but in their simplest form they do not scale well due to the quadratic complexity. In this paper, a…
The method of iterated conformal maps is developed for quasi-static fracture of brittle materials, for all modes of fracture. Previous theory, that was relevant for mode III only, is extended here to mode I and II. The latter require…
Uncertainty estimates must be calibrated (i.e., accurate) and sharp (i.e., informative) in order to be useful. This has motivated a variety of methods for recalibration, which use held-out data to turn an uncalibrated model into a…
Many robotics applications benefit from being able to compute multiple locally optimal paths in a given configuration space. Examples include path planning for of tethered robots with cable-length constraints, systems involving cables,…
This paper presents an efficient and comprehensive MATLAB code to solve two-dimensional structural topology optimization problems, including minimum mean compliance, compliant mechanism synthesis and multi-load compliance problems. The…
Cross-modal embeddings form the foundation for multi-modal models. However, visualization methods for interpreting cross-modal embeddings have been primarily confined to traditional dimensionality reduction (DR) techniques like PCA and…
Target tracking faces the challenge in coping with large volumes of data which requires efficient methods for real time applications. The complexity considered in this paper is when there is a large number of measurements which are required…
Multivariate geostatistical simulation requires the faithful reproduction of complex non-linear dependencies among geological variables, including bimodal distributions, step functions, and heteroscedastic relationships. Traditional methods…
This paper proposes multiple extensions to the popular bicriterion transit routing approach -- Trip-Based Transit Routing (TBTR). Specifically, building on the premise of the HypRAPTOR algorithm, we first extend TBTR to its partitioning…