Conferences  >  Chemistry  >  Physical (Theoretical) Chemistry, Computational Chemistry

The study of photochemical reactions in general and photoelectrochemical water splitting in particular, rests on understanding of such elementary effects as light absorption, energy transfer, electron transfer, radiative and nonradiative relaxation, and catalysis is important for the rational design of efficient systems for energy conversion. The design of most efficient catalysts is pursued by change of composition, quantum confinement, size, shape, surface functionalization, magnetic doping, and mesoscale structural arrangement providing versatile tuning of timescales of available basic mechanisms and properties of materials. This symposium presents recent experimental, computational, and machine learning synergistic advances on modeling of photophysics and photochemistry at interfaces: Experimental achievements in fabrication of efficient photocatalytic interfaces and monitoring of efficiency, quantum yield, and kinetics of reactant evolution and electronic dynamics by ultrafast spectroscopy techniques stimulate further development of more precise theoretical methods. Computational modeling allows for interpretation of available experimental trends and help in guiding further advances in design of efficient photocatalytic materials.

Cheminformatics and machine learning advances help to establish a feedback loop between computation and experiment and narrow down the number of structures with high potential for record efficiency. It is expected that the symposium will bring better understanding of photoinduced processes of light absorption, formation and breaking of charge transfer excitations, hot carrier relaxation, multiple exciton processes, coupled light-to-matter states, and redox reaction dynamics at catalytic sites, affected by lattice vibrations and solvent polarization.

Email: https://pacifichem2025.abstractcentral.com/submission

photophysics, photochemistry, interfaces, neural networks, machine learning, fabrication, photocatalytic interfaces, quantum yield, product evolution kinetics, electronic dynamics, ultrafast spectroscopy, photoinduced processes, light absorption, charge transfer excitations, hot carrier relaxation, multiple exciton generation, coupled light-to-matter states, redox reaction dynamics, catalytic sites, open quantum system, ab initio, color centers

Conventional and Renewable Energy Production,    Photochemistry and Spectroscopy

Direct Excited State Dynamics

Biannual event that brings together supramolecular chemists and scientists from related fields to discuss cutting-edge research and recent developments in areas ranging from supramolecular polymers, metal-organic structures, molecular cages, supramolecular machinery and dynamic systems, life-like assemblies, and biomimetic materials.

Organic Chemistry and Polymers,    Organometallic Chemistry, Coordination Chemistry

The UGM & Conference is a 4-day event focused on the applications of computational chemistry, drug design, and discovery across biologics, peptides, and small molecules.

Gordon Research Seminar

The Computational Chemistry GRS provides a unique forum for young doctoral and post-doctoral researchers to present their work, discuss new methods, cutting edge ideas, and pre-published data, as well as to build collaborative relationships with their peers. Experienced mentors and trainee moderators will facilitate active participation in scientific discussion to allow all attendees to be engaged participants rather than spectators. This seminar will highlight the interplay between traditional physics-based computational chemistry methods and emerging machine learning approaches.

Gordon Research Conference

The Computational Chemistry GRC is a premier, international scientific conference focused on advancing the frontiers of science through the presentation of cutting-edge and unpublished research, prioritizing time for discussion after each talk and fostering informal interactions among scientists of all career stages. The conference program includes an array of speakers and discussion leaders from institutions and organizations worldwide, concentrating on the latest developments in the field. The conference is five days long and held in a remote location to increase the sense of camaraderie and create scientific communities, with lasting collaborations and friendships. In addition to premier talks, the conference has designated time for poster sessions from individuals of all career stages, and afternoon free time and communal meals allow for informal networking opportunities with leaders in the field.

Since 2006, the BMIC has been held in conjunction with the Brazilian Meeting on Rare Earths (BMRE), which brings together researchers and students from the disciplines of inorganic chemistry, materials chemistry, rare earth chemistry, and physics. In 2018, the conference expanded its reach by incorporating the Workshop on Theoretical Bioinorganic Chemistry (WTBC), a forum dedicated to the computational modeling of bioinorganic systems and processes.