V Coloquio de Simulaciones Computacionales en Ciencias

– Fernando Rojas Íñiguez – Director Centro de Nanociencias y Nanotecnología, UNAM.

Platica 1

– Leonel Cota Araiza – Centro de Nanociencias y Nanotecnología, UNAM

Resumen

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Platica 2

– José I. Paez Ornelas – Centro de Nanociencias y Nanotecnología

Platica 3

– Roberto Núñez González – Universidad de Sonora.

Resumen

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Simulation vs understanding: A tension, and not just in our profession 

– Roald Hoffmann – Cornell University

Abstract

At times it feels like there is a wave, crashing down on us, and not just
in our field, quantum chemistry. The wave is driven by information technology; its
arms are machine learning, neural networks, and artificial intelligence. Soon
quantum computers are going to bring us exact numerical solutions to equations
which we have been struggling to solve. But those numbers — now hard-won, soon
easy to get — will provide close to zero understanding. To justify this provocative
statement, we need to define understanding, a jewel of human thought for
centuries. The ability to form explanations, to teach a student, play an important
part of the definition.
In this lecture, based on three essays with Jean-Paul Malrieu, we will move
from the words, and philosophical ideas around them, to the practical way in which
simulation interacts with experiment today. I will describe the feeling of being
beaten by computers, not just in playing chess or go, but in the process of
searching for a new chemical structure, The tension between simulation and
understanding is there, of course, not only in chemistry – I will give examples of
from economics, commerce, and “big data.” There are deep moral implications of
AI and IT for all of us. No solutions at the end, just a recognition of the problem,
and a plea to stay human. Chemistry’s streak of creation provides in that conjoined
future a passage to art and to perceiving, as Jean-Paul and I argue, the sacred in
science.

Título

– Miguel Avalos Borja – Instituto Potosino de Investigación Científica y Tecnológica, A.C. 

Resumen

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Plática 6

– Eduardo Pérez Tijerina – Universidad Autónoma de Nuevo León.

Resumen

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Plática

– Dr. Sergio Fuentes Moyado – Centro de Nanociencias y Nanotecnología, UNAM

Resumen

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