本项目采用化学家的"自下而上"策略，以分子识别、自组装、纳米及生物技术为手段，通过考察pH、温度、浓度等条件，调控分子砌块、纳米材料以及阴、阳离子之间的组装与解离、构型折叠与展开、能量转移的"开"与"关"，监测体系光学信号的变化（荧光、散射光、吸收光等），结合布尔逻辑分析，将施加条件和信号响应抽象为输入和输出0、1二进制编码，探索分子信息编码模式，构建多输入-多输出的一一对映逻辑关系，设计和构筑分子可逆逻辑门及环路。通过系统考察溶液均相、非均相、固体平台等体系环境对逻辑操作的影响，为发展适用于不同环境需求的逻辑门提供理论依据。此外，从能量的角度出发，考察动力学、热力学过程中化学、物理变化与分子可逆逻辑操作的能量转化规律，最小化信息比特的丢失和冗余，拓展其在生化分析、环境监测、智能诊断领域的应用。

Molecular Boolean Logic and Computing (MBLC) is becoming increasingly popular, because a chemist's bottom-up approach toward for information processing might be an attractive alternative, which is potential to overcome the development bottleneck of information technology: the chip size, cross-talk, and heat dissipation. However, irreversibility of traditional boolean logic, which has been studied and reported on MBLC, causes dissipation due to the inherent loss of information (e.g., Two-bit AND, OR, and NAND gates "forget" a bit).?Reversible logic is a promising attempt to solve that problem. However, The demonstration of reversible logic operations with molecular based systems is relatively rare. The main focus of the proposed research is the study of molecular reversible logic gates (MRLG) based on molecular information encoding and processing. The first theme is to explore the pattern of molecular coding and the feasibility of MRLG. By utilizing molecular recognition, self-assembly, nanotechnology, and biotechnology, we can control assembly and disassembly, folding and unfolding, "on" and "off" of energy transfer among molecular building blocks, nanomaterials, and ions. The effect of pH, temprature, and concentrations on the optical signals of the systems will be carefully monitored to ananlyze and conclude the effective encoding mechanism. Furthermore, the effect of system environment (such as solution effect and solid-air interface) on MRLG operations will be carefully explored to provide some academic theories for developing pratical and mutilfunctional logic gates. The second theme is to explore the generation and loss of energy during thermodynamics and kinetics of MRLG operations. The relationship between chemical reversibly and logic reversibly will be annalyzed and explored to optimize the constructions and opereations of MRLG, avoid the inherent loss and redundance of information, and expand the application of MRLG.