16th Meeting invited speakers

16th MEETING ON MOLECULAR SIMULATION 2026

INVITED SPEAKERS

NAME	INSTITUTION	ABSTRACT
Aldo H Romero	Eberly Distinguished Professor Physics Department West Virginia University email: This email address is being protected from spambots. You need JavaScript enabled to view it.	From Databases to Dynamics: Machine-Learned Interatomic Potentials and the Search for Trustworthy Molecular Dynamics
Nelson Flores Gallegos	Departamento de Ciencias Naturales y Exactas Centro Universitario de los Valles Universidad de Guadalajara email: This email address is being protected from spambots. You need JavaScript enabled to view it.	Some applications of informational divergences in molecular systems
Alvaro Posada-Amarillas	Departamento de Investigaciones Físicas Universidad de Sonora email: This email address is being protected from spambots. You need JavaScript enabled to view it.	Between Molecules and Bulk: The Role of Computer Simulations in the Study of Metal Clusters
Hugo Marcelo Flores Ruíz	Departamento de Ciencias Naturales y Exactas Centro Universitario de los Valles Universidad de Guadalajara email: This email address is being protected from spambots. You need JavaScript enabled to view it.	Car-Parrinello dynamics for modeling chalcogenides materials in the liquid and glassy states
Ana Beatriz Salazar Arriaga	Facultad de Química Universidad Nacional Autónoma de México email: This email address is being protected from spambots. You need JavaScript enabled to view it.	Study of competitive adsorption of heavy metals in SDS and rhamnolipid micelles by molecular dynamics
Daniel Ignacio Salgado Blanco	Investigador por México-SECIHTI Instituto Potosino de Ciencia y Tecnología email: This email address is being protected from spambots. You need JavaScript enabled to view it.	Order from Defects: How Topological Defects May Guide Colloidal Self-Assembly in Liquid Crystals
José Reyes Alejandre Ramírez	Departamento de Química Universidad Autónoma Metropolitana - Iztapalapa email: This email address is being protected from spambots. You need JavaScript enabled to view it.	DM_UAMI: A Flexible CPU–GPU Molecular Dynamics Platform Developed from a Legacy Code
Alejandro Hernández Tanguma	Central European Institute of Technology Masaryk University email: This email address is being protected from spambots. You need JavaScript enabled to view it.	Development of selective membrane-binding peptides through evolutionary optimization
Jorge Alberto Aguilar Pineda	Instituto de Física “Luis Rivera Terrazas” Benemérita Universidad Autónoma de Puebla email: This email address is being protected from spambots. You need JavaScript enabled to view it.	NWM, a flexible three-site water model for low- electrostatic environments
Valeria García Melgarejo	Ares Material, Inc. Guadalajara, Jalisco email: This email address is being protected from spambots. You need JavaScript enabled to view it.	Conformational Control of Collective Liquid-State Properties in Polar Fluids
José Luis Rodríguez López	Facultad de Ciencias Universidad Nacional Autónoma de México email: This email address is being protected from spambots. You need JavaScript enabled to view it.	How Do We Simulate the Next Generation of Materials? From Newton to Schrödinger’s Cat: HPC, AI and Quantum Computing
Erendira Aguilar Huerta	Instituto Tecnológico del Valle de Etla Tecnológico Nacional de México email: This email address is being protected from spambots. You need JavaScript enabled to view it.	Surfactant-Modified Carbonaceous Surfaces for CO₂/CH₄ Adsorption and Selectivity: A Molecular Simulation Study
José Marcos Falcón González	Unidad Profesional Interdisciplinaria de Ingeniería Campus Guanajuato Instituto Politécnico Nacional email: This email address is being protected from spambots. You need JavaScript enabled to view it.	From Drug–Membrane Interactions to Complex Biological Systems: A Molecular Simulation Perspective
Bernardo Antonio Zúñiga Gutiérrez	Department of Chemistry Centro Universitario de Ciencias Exactas e Ingenierías Universidad de Guadalajara email: This email address is being protected from spambots. You need JavaScript enabled to view it.	Calculation of Static and Dynamic Molecular Magnetic Properties Using Auxiliary Density Functional Theory
Edgar Galicia Andrés	Institute of Molecular Modeling and Simulation University of Natural Resources and Life Sciences Vienna, Austria email: This email address is being protected from spambots. You need JavaScript enabled to view it.	Molecular modeling in soil science
Héctor Domínguez Castro	Instituto de Investigaciones en Materiales Universidad Nacional Autónoma de México email: This email address is being protected from spambots. You need JavaScript enabled to view it.	Effects of a constant electric field on the adsorption of surfactant monolayers at the liquid- vapor interface: molecular dynamics studies
Roberto Flores Romero	Departamento de Química Centro Universitario de Ciencias Exactas e Ingenierías Universidad de Guadalajara email: This email address is being protected from spambots. You need JavaScript enabled to view it.	Real-time propagation of density and chemical reactivity descriptors using auxiliary density perturbation theory