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In a molecular communication network, transmitters may encode information in concentration or frequency of signalling molecules. When the signalling molecules reach the receivers, they react, via a set of chemical reactions or a molecular…

Molecular Networks · Quantitative Biology 2020-07-23 Chun Tung Chou

Molecular recognition, which is essential in processing information in biological systems, takes place in a crowded noisy biochemical environment and requires the recognition of a specific target within a background of various similar…

Biomolecules · Quantitative Biology 2010-07-27 Yonatan Savir , Tsvi Tlusty

The need to carry out analytical studies of wireless systems often motivates the usage of simplified models which, despite their tractability, can easily lead to an overestimation of the achievable performance. In the case of dense small…

Information Theory · Computer Science 2015-06-08 Carlo Galiotto , Nuno K. Pratas , Nicola Marchetti , Linda Doyle

Strategies to improve the predicting performance of Message-Passing Neural-Networks for molecular property predictions can be achieved by simplifying how the message is passed and by using descriptors that capture multiple aspects of…

Machine Learning · Computer Science 2025-10-22 Alma C. Castaneda-Leautaud , Rommie E. Amaro

This letter introduces a formalism for modeling time-variant channels for diffusive molecular communication systems. In particular, we consider a fluid environment where one transmitter nano-machine and one receiver nano-machine are…

Information Theory · Computer Science 2017-03-08 Arman Ahmadzadeh , Vahid Jamali , Adam Noel , Robert Schober

Device-to-device (D2D) communications are now considered as an integral part of future 5G networks which will enable direct communication between user equipment (UE) without unnecessary routing via the network infrastructure. This…

Information Theory · Computer Science 2016-05-12 Young Jin Chun , Simon L. Cotton , Harpreet S. Dhillon , Ali Ghrayeb , Mazen O. Hasna

Motivation: Despite its great success in various physical modeling, differential geometry (DG) has rarely been devised as a versatile tool for analyzing large, diverse and complex molecular and biomolecular datasets due to the limited…

Quantitative Methods · Quantitative Biology 2018-06-12 Duc Duy Nguyen , Guo-Wei Wei

Deep learning has proven to yield fast and accurate predictions of quantum-chemical properties to accelerate the discovery of novel molecules and materials. As an exhaustive exploration of the vast chemical space is still infeasible, we…

Machine Learning · Statistics 2020-01-10 Niklas W. A. Gebauer , Michael Gastegger , Kristof T. Schütt

This paper analyzes the channel impulse response of an absorbing receiver (RX) covered by multiple non-overlapping heterogeneous receptors with different sizes and arbitrary locations in a molecular communication system. In this system, a…

Emerging Technologies · Computer Science 2022-02-16 Xinyu Huang , Yuting Fang , Stuart T. Johnston , Matthew Faria , Nan Yang , Robert Schober

Molecular Communications (MC) is a bio-inspired paradigm for transmitting information using chemical signals, which can enable novel applications at the junction of biotechnology, nanotechnology, and information and communication…

Emerging Technologies · Computer Science 2023-08-03 Iman Mokari Bolhassan , Ali Abdali , Murat Kuscu

In this paper, we consider the diffusive molecular communication channel between a transmitter nano-machine and a receiver nano-machine in a fluid environment. The information molecules released by the transmitter nano-machine into the…

Emerging Technologies · Computer Science 2016-11-17 Arman Ahmadzadeh , Hamidreza Arjmanidi , Andreas Burkovski , Robert Schober

Molecular communication is a promising solution to enable intra-body communications among nanomachines. However, malicious and non-cooperative receivers can degrade the performance, compromising these systems' security. Analyzing the…

Information Theory · Computer Science 2022-05-25 Nithin V. Sabu , Abhishek K. Gupta , Neeraj Varshney , Anshuman Jindal

This paper presents an analytical comparison of active and passive receiver models in diffusive molecular communication. In the active model, molecules are absorbed when they collide with the receiver surface. In the passive model, the…

Emerging Technologies · Computer Science 2017-03-20 Adam Noel , Yansha Deng , Dimitrios Makrakis , Abdelhakim Hafid

Beam management is central in the operation of dense 5G cellular networks. Focusing the energy radiated to mobile terminals (MTs) by increasing the number of beams per cell increases signal power and decreases interference, and has hence…

Since the development of 4G networks, Multiple-Input Multiple-Output (MIMO) and later multiple-user MIMO became a mature part to increase the spectral efficiency of mobile communication networks. An essential part of simultaneous…

Signal Processing · Electrical Eng. & Systems 2018-08-13 Martin Kurras , Sida Dai , Stephan Jaeckel , Lars Thiele

Generalized spatial modulation (GSM) is a spectral-efficient technique used in multiple-input multiple-output (MIMO) wireless communications when the number of radio frequency chains at the transmitter is less than the number of transmit…

Information Theory · Computer Science 2020-08-11 Lakshit Singla , Lakshmi Natarajan

Deep generative models have achieved tremendous success in designing novel drug molecules in recent years. A new thread of works have shown the great potential in advancing the specificity and success rate of in silico drug design by…

Machine Learning · Computer Science 2025-07-14 Xingang Peng , Shitong Luo , Jiaqi Guan , Qi Xie , Jian Peng , Jianzhu Ma

Three-dimensional charge density maps computed by first-principles methods provide information about atom positions and the bonds between them, data which is particularly valuable when trying to understand the properties of point defects,…

Materials Science · Physics 2008-10-22 Christoph T. Koch

In this paper, we present an efficient adaptive multigrid strategy for the geometry optimization of large-scale three dimensional molecular mechanics. The resulting method can achieve significantly reduced complexity by exploiting the…

Computational Physics · Physics 2022-08-30 Kejie Fu , Mingjie Liao , Yangshuai Wang , Jianjun Chen , Lei Zhang

In the domain of molecular communication (MC), information is conveyed through the characteristics of molecules transmitted between the transmitter and the receiver bionanosensors via propagation. The constrained size of the transmitter…

Information Theory · Computer Science 2025-08-07 Dongliang Jing , Linjuan Li , Lin Lin , Andrew W. Eckford
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