(a) Draw the bi-molecular complex (see Figure 2 in the paper) using Avogadro. (b) Optimize the structure at B3LYP/6-31G** level of theory. (c) Prepare an input file for a relaxed scan (same level of theory) of the proton transfer using the modredundant option (check the manual page for opt ). Please include the option maxcyc=8 regarding the optimization. (Hint: which geometrical parameter do yo...

In the aftermath of large-scale natural disasters, supply shortage and inequitable distribution cause various losses, hindering humanitarian chains’ performance. The optimal decisions are difficult due to complexity arising from multi-period post-disaster consideration, uncertainty supplies, hierarchal decision levels conflicting objectives in sustainable chains (SHSCs). This paper formulates p...

Although the bag-of-visual-words (BoW) representation has received wide application, it ignores the spatial information. To tackle this problem, we propose to use ‘components’ as the higher-level visual elements to represent images. Then we formulate object recognition into a bi-linear model along with sparsity constraints to indicate two progressive linear relationships among a given concept a...

One of the key issues in mining is the hauling system. Truck and shovels are the most widely used transportation equipment in mines. In this paper, a two-phase simulation-based optimization is presented to maximize utilization of hauling system in the largest Iranian open-pit copper mine. In the first phase, The OptQuest for Arena software package was used to solve the optimization problem to p...

In this paper, a bi-objective multi-product (r,Q) inventory model in which the inventory level is reviewed continuously is proposed. The aim of this work is to find the optimal value for both order quantity and reorder point through minimizing the total cost and maximizing the service level of the proposed model simultaneously. It is assumed that shortage could occur and unsatisfied demand coul...

In the past decade optimal multicast energy conservation routing is very big issue. In this paper finding optimal paths in mobile ad hoc networks with minimal energy consumption. More specifically, a novel bi-level optimization model, which allows the reliability, namely beakless path between nodes. With lowest energy consumption to be taken into account simultaneously is presented. In order to...

A dual-robot system is a robotic device composed of two robot arms. To eliminate the joint-angle drift and prevent the occurrence of high joint velocity, a velocity-level bi-criteria optimization scheme, which includes two criteria (i.e., the minimum velocity norm and the repetitive motion), is proposed and investigated for coordinated path tracking of dual robot manipulators. Specifically, to ...