Science
Martin Karplus, Chemist Who Made Early Computers a Tool, Dies at 94

Martin Karplus, a Nobel Prize-winning theoretical chemist who used computers to model how complex systems change during chemical reactions, a process that has led to advances in the understanding of biological processes, died on Dec. 28 at his home in Cambridge, Mass. He was 94.
His wife, Marci Karplus, said he died while recovering from a fall in which he broke a femur.
Over his long career, Dr. Karplus had crossed paths with some of the most important scientists of the 20th century, including Linus Pauling and J. Robert Oppenheimer.
Scientists can control the chemicals in a reaction, and they can measure and evaluate the results, but what happens in between is a mystery.
As Sven Lidin, chairman of the Nobel selection committee explained when announcing the 2013 winners in chemistry: “It’s like seeing all the actors before Hamlet and all the dead bodies after, and then you wonder what happened in the middle. And actually, there is some interesting action there, and this is what theoretical chemistry provides us with — the whole drama.”
Beginning in the 1960s, when computers were only a fraction as powerful as today’s smartphones, Dr. Karplus and his fellow Nobel laureates — Michael Levitt, originally from South Africa, and Arieh Warshel, who was born in Israel — began to build virtual models of molecules to understand what happens to them during complex reactions like photosynthesis and combustion.
The models used classical Newtonian physics to predict how multitudes of atoms and molecules move during reactions, and they used quantum physics to describe how chemical bonds are broken and formed during those reactions. This type of analysis proved particularly useful in understanding biological reactions involving enzymes, the proteins that govern chemical responses in living organisms.
There was initial resistance to the scientists’ work because it was difficult for others to accept that computer models could be accurate enough or could sufficiently account for the many variables in some reactions. But by the time the Nobel Prize was awarded in 2013, that skepticism was gone.
“Today, the computer is just as important a tool for chemists as the test tube,” the academy wrote in its announcement. “Simulations are so realistic that they predict the outcome of traditional experiments.”
At Harvard University, where Dr. Karplus spent most of his career, he and his research team in 1983 created a program for simulating molecular interaction, calling it Chemistry at Harvard Macromolecular Mechanics (CHARMM). The program is available to researchers worldwide.
In the late 1950s, Dr. Karplus made another important contribution to chemistry: He developed what is known as the Karplus equation. It makes it possible to calculate the magnitude and orientation of protons in organic compounds involved in nuclear magnetic resonance spectroscopy, allowing chemists to study the arrangements of atoms in molecules. It is now a basic part of chemistry education.
Martin Karplus was born on March 15, 1930, in Vienna into a well-off and intellectually accomplished Jewish family. He was the second son of Johann Karplus, a banker, and Isabella (Goldstern) Karplus, a hospital dietitian.
His paternal grandfather, Johann Paul Karplus, was a neurologist who discovered the functions of the hypothalamus, the crucial brain region that controls body temperature, hunger, heart rate and other vital activities. An uncle, Eduard Karplus, was an engineer and inventor. And Martin’s older brother, Robert, became a theoretical physicist at the University of California at Berkeley.
In the face of rising antisemitism in the 1930s and a few days after Nazi Germany annexed Austria in the Anschluss of March 1938, Martin, his brother, and his mother fled to Zurich and then to France, eventually arriving in Le Havre.
Martin’s father was initially imprisoned in Vienna, but he was able to join the family before they set sail for New York. They arrived on Oct. 8, 1938, and soon after moved to Newton, Mass.
At Newton High School, Martin discovered that his older brother had made such a mark there that many teachers doubted Martin’s ability to do as well, he recalled in a Nobel biography. One teacher, who was in charge of the Westinghouse Science competition, the nation’s top talent search in the sciences, told Martin that it would be a waste of his time to enter.
But he found another teacher who was willing to proctor his test for the competition. He went on to qualify as one of the country’s 40 finalists. Martin’s project on alcids, an aquatic bird, was chosen as the co-winner of the competition, after which he met President Harry S. Truman in Washington.
Accepted to Harvard University, he concentrated on chemistry and physics. As he was finishing his undergraduate degree in 1950, both the University of California at Berkeley and the California Institute of Technology, known as Caltech, accepted him for graduate studies.
Unsure where to go, he visited his brother, Robert, who by then was working at the Institute for Advanced Study in Princeton, N.J. Robert showed him around, introducing him to Albert Einstein and J. Robert Oppenheimer, who had led the Manhattan Project that developed the atomic bomb and who had become the institute’s director. Dr. Oppenheimer recommended Caltech, where he had been a professor, calling it “a shining light in a sea of darkness,” according to Dr. Karplus’s biography. Decision made.
At Caltech he focused on biophysics, joining a graduate group led by Max Delbrück, who, along with Salvador E. Luria, had proved that Darwin’s theory of evolution also applied to bacteria. They, along with Alfred D. Hersey, would be awarded the Nobel Prize in Physiology or Medicine in 1969 for their work.
As Dr. Karplus wrote in his Nobel biography, a turning point in his life came two months after he started at Caltech. Dr. Delbrück suggested that Dr. Karplus present a seminar on his intended area of research: how vision works.
He began his presentation, but after 10 minutes Dr. Delbrück interrupted him to say that he did not understand what Dr. Karplus was saying. Dr. Karplus began anew, and Dr. Delbrück interrupted again, saying he still did not understand. Dr. Karplus began again, and Dr. Delbrück interrupted a third time.
At this point, Dr. Richard Feynman, who was awarded the Nobel Prize in Physics in 1965 and who was sitting in the audience, turned around and said to Dr. Delbrück: “I can understand, Max. It is perfectly clear to me.” Dr. Delbrück turned red and stormed out. Later that day, he called Dr. Karplus to his office and told him that he could no longer work with him.
Dr. Karplus switched to chemistry.
In the chemistry department, Dr. Karplus initially worked with Prof. John Kirkwood, but then Dr. Kirkwood left for Yale University. His graduate students were given the chance to switch to working with Linus Pauling. Only Dr. Karplus accepted.
Dr. Pauling was on the short list of the greatest scientists of the 20th century. He was one of only five people to receive two Nobel Prizes: the first in 1954 for chemistry, for determining how atoms are chemically bound in molecules; and the second, the Nobel Peace Prize, in 1962, for promoting nuclear disarmament. His scientific work led to the founding of quantum chemistry and molecular biology.
Dr. Karplus’s time with Dr. Pauling proved fruitful: He finished his doctoral dissertation just before Dr. Pauling departed on a trip in late 1953. Dr. Karplus, who had received a National Science Foundation postdoctoral fellowship, then left to spend two years at Oxford University.
In 1955, he was hired by the University of Illinois, which was doing advanced work on nuclear magnetic resonance (NMR) spectroscopy. It was during his five years in Illinois that he put together his Karplus equation.
In 1960, Dr. Karplus was hired to be a researcher at the IBM Watson Scientific Laboratory and to teach at Columbia University. With access to state-of-the-art computing power, he continued his research on NMR and also began to investigate creating models to explain chemical reactions.
Dr. Karplus changed jobs again in 1966, returning to Harvard. There he started to concentrate on biological reactions, which are the most complex. The work would lead to the creation of CHARMM and to his Nobel Prize.
In the 1990s, Dr. Karplus was appointed a professor at Louis Pasteur University, later renamed the University of Strasbourg, in France. He spent the next 20 years going back and forth between there and Harvard.
Dr. Karplus met Marci Hazard at Harvard, where she has worked for 51 years. They married in 1981. His first wife was Susan Karplus; their marriage ended in divorce.
In addition to his wife, he is survived by two children from the earlier marriage, Reba and Tammy; one child from his second marriage, Mischa; and one grandchild. (Susan Karplus died in 1982. His brother, Robert, died in 1990.)
In 2020, Dr. Karplus published his autobiography, “Spinach on the Ceiling: The Multifaceted Life of a Theoretical Chemist.” The title referred to the landing spot of a launched spoonful of spinach that he had been ordered to eat as a boy.
Over his career, Dr. Karplus supervised close to 250 graduate and doctoral students, most of whom have gone on to successful academic careers. They are collectively known as Karplusians.

Science
California board voted to nix a controversial hazardous waste proposal
A state environmental oversight board voted unanimously to rescind a controversial proposal that would have permitted California municipal landfills to accept contaminated soil that is currently required to be dumped at sites specifically designated and approved for hazardous waste.
Earlier this year, the California Department of Toxic Substances Control (DTSC) released a draft of its first-ever Hazardous Waste Management Plan, a document intended to guide the state’s strategy on dangerous waste.
The draft plan included a recommendation to weaken California’s disposal rules for contaminated soil — typically the largest segment of hazardous waste produced each year. The potential change would have allowed contaminated soil from heavily polluted sites to be dumped at landfills that were not designed to handle hazardous waste.
Environmental advocates and community members expressed concerns that the rollback could result in toxic dust blowing into communities near local landfills or dangerous chemicals leaching into groundwater. State officials countered by saying that contaminated soil would only go to landfills equipped with liners that would prevent toxic substances from seeping into local aquifers.
At a public meeting on the plan held on Thursday evening, the Board of Environmental Safety — a five-member panel established to provide oversight of DTSC — unanimously voted to remove that recommendation from the state’s draft plan. That followed months of intense scrutiny from residents and environmental groups directed toward the plan. DTSC officials present at the meeting also signaled that they would support the board’s decision to nix the revision.
“I heard you talk about the pollution burdens you already face,” DTSC deputy director Mandi Bane said to the crowd of a few dozen who had gathered at the department’s offices in Cypress. “The worry that DTSC is taking steps that will endanger your community by making that pollution burden worse, and [the] outrage that these steps will be taken without consultation and discussion. As a public health professional, the stress, the fear, the anger that I heard from folks was very concerning … and I do want to apologize that this plan had that impact.”
Heavily polluting industries have tainted soil across California. More than 560,000 tons of hazardous soil are produced each year in California as environmental regulators endeavor to prevent residents from coming in contact with chemical-laced soil and developers build on land in industrial corridors.
However, the vast majority of this soil is not considered hazardous outside of California. The state has hazardous waste regulations that are more stringent than the federal government and most states in the country.
There are only two waste facilities in California that meet the state’s rigorous guidelines for hazardous materials, both in the San Joaquin Valley. Any hazardous dirt in California must be trucked there, or exported to landfills in neighboring states that rely on the more lenient federal standards.
State officials argued the current rules make it difficult and expensive to dispose of contaminated soil, noting that the average distance such waste is trucked right now is about 440 miles, according to the draft plan.
Ahead of the board vote, environmental advocates rallied outside of the DTSC offices in Cypress, calling on state officials to uphold California’s hazardous waste standards for contaminated soil. Angela Johnson Meszaros, an attorney with Earthjustice, said the proposal would effectively forgo California’s regulatory authority and rely on the federal environmental rules — at a time when the Trump administration is repealing environmental policy.
“This plan is a travesty, and I’m calling on DTSC to be better than this,” Johnson Meszaros said at Thursday’s meeting. “If we don’t draw the line with this massive deregulatory effort, there is no line. We will be swept up in the insanity we see at the national level.”
The discussion of hazardous waste disposal has been thrust into the public spotlight recently as the U.S. Army Corps of Engineers continues to remove toxic ash and contaminated soil from properties destroyed in the Eaton and Palisades wildfires. Because disaster debris is traditionally considered not hazardous, federal contractors have been hauling this material to several nonhazardous local landfills without testing it.
In response to the federal cleanup plans, residents in unincorporated Agoura and the Granada Hills neighborhood in Los Angeles staged protests near local landfills.
Melissa Bumstead, an environmental advocate and San Fernando Valley resident, urged the Board of Environmental Safety to consider factoring disaster debris into the hazardous waste plan. With climate change fueling increasingly destructive wildfires, this will continue to be an issue for years to come, she said.
“This is an opportunity, not just with hazardous waste that is manufactured,” Bumstead said, “but also hazardous waste that is created by wildfires on how to create a plan that is going to protect Californians in the future.”
Science
Months after the fires, how safe is it to swim at L.A.'s beaches?

It seems like a straightforward question: Do the tons of toxic material the Los Angeles County fires sent spewing into the ocean pose an ongoing threat to human health?
For nearly five months, public agencies, advocacy groups and scientists have analyzed samples of seawater and sand in an attempt to determine whether January’s catastrophe has made it less safe to swim, surf or sunbathe at the region’s famous beaches.
Their collective results point to two broad truths.
The first is that neither government agencies nor privately funded groups have found levels of fire-related contamination in sand or ocean water likely to pose health risks to beachgoers. While visible fire debris still occasionally washes up on shore and should be avoided, public health officials and advocates say, there is little evidence of fire-related toxins high enough to sicken visitors through casual recreational exposure.
The second is that the unprecedented amount of ecological damage January’s firestorms caused simply dwarfs the tools we have available to measure beach pollution.
The seawater safety testing that informs the county’s beach water quality advisories is designed to look for hazards posed by sewage, not fire debris.
State and federal regulators have clear guidelines on the maximum amount of heavy metals and chemicals that can be in our drinking water before it is deemed unsafe, but no similar standards for how much of this stuff it is safe to be exposed to when swimming.
This lack of preexisting health guidelines has made it hard for public health officials to describe the situation at the coast in simple, declarative terms. That, in turn, has frustrated a public that just wants to know if it’s safe to get back on a surfboard.
“There are no human health standards for recreating in water or on sand that has been contaminated, potentially, by these pollutants … and so there’s no straightforward way to test for contaminants and then [say] this exceeds the risk threshold, or it doesn’t,” said Tracy Quinn, president of the environmental nonprofit Heal the Bay. “And that has presented a lot of challenges.”
The Palisades and Eaton fires incinerated more than 40,000 acres and countless tons of plastics, electronics, building materials, batteries and other potentially hazardous materials. Because of the region’s geography, much of that toxic ash and residue eventually flushed into the ocean.
County health officials closed several miles of coastline entirely in January and February, citing spiking levels of bacteria caused by destroyed sewage systems and dangerous amounts of hazardous debris clogging up the shore.
In the meantime, the Los Angeles Regional Water Quality Control Board began collecting samples of ocean water to assess contaminant levels.
The board soon had reams of public data for beaches from Las Flores Creek in Malibu to Dockweiler Beach in Playa del Rey, showing results for dozens of different contaminants, including heavy metals, polychlorinated biphenol and polycyclic aromatic hydrocarbons.
But, again, there are no established regulations for how much of these contaminants a surfer or swimmer can be safely exposed to. There also isn’t much historical data with which to compare the current amounts of pollutants such as plasticizers, fire retardants and other modern chemicals to pre-fire conditions.
As a result, county health officials struggled to translate their findings into recommendations the public could use.
“This is not business as usual with ocean water testing,” said Dr. Nichole Quick, chief medical advisor with the L.A. County Department of Public Health.
County health officials spent hours plugging the numbers into a publicly available Environmental Protection Agency tool that helps evaluate safe environmental exposure levels to various substances. They also invited experts from other agencies to weigh in.
No matter how they ran the numbers, they didn’t see evidence that the levels of contaminants present in January and February would threaten human health.
Heal the Bay tested seawater around the same time. The group found enough lead and other heavy metals in some samples to potentially build up over time in the tissue of marine life, but not high enough to sicken a human swimming in those waters.
The county now has an online dashboard for post-fire environmental data that includes ocean water testing.
But by the time it went live this spring, many members of the public were already frustrated by the lack of clear-cut answers and the confusing pile of data online, said Eugenia Ermacora, Los Angeles chapter manager for the Surfrider Foundation.
“It creates this anxiety,” she said. “Everybody wants an answer right now: Is it safe? Me too! I’m a surfer. My fins are drying. But we’re trying to be patient at the same time.”
L.A.’s coastal ecosystem is now the subject of a massive real-life science experiment. As in all sweeping studies, it will be a while before clear answers emerge. In the meantime, advocates are hopeful that L.A.’s experience now will help communities respond to disasters in the future.
“This is not the last time we’re going to see an urban megafire in a coastal city. It may not be the last time we see an urban megafire in Los Angeles, and we need to be better prepared,” Quinn of Heal the Bay said. “My hope is that we take the information that we’re learning here and we create protocols and standards for what to do next time.”
Science
Researchers call on Newsom to pay for post-fire soil testing in Los Angeles County

A group of environmental researchers is calling on the Newsom administration to step in and pay for soil testing at thousands of homes destroyed in the Eaton and Palisades wildfires.
Nearly a dozen university professors wrote a letter Wednesday to Gov. Gavin Newsom and California Environmental Protection Agency Secretary Yana Garcia, imploring state officials not to abandon California’s wildfire-recovery protocols, namely the long-standing policy to conduct soil sampling at destroyed homes after cleanup crews finish removing toxic ash and a layer of topsoil.
Gov. Gavin Newsom attends a news conference at Odyssey Charter School as work begins to remove debris from the Eaton fire in January.
(Juliana Yamada / Los Angeles Times)
Because federal disaster agencies have repeatedly refused to conduct soil sampling to ensure burned-down homes do not contain unhealthy levels of toxic substances, the researchers argue it is imperative for the state to intervene in the ongoing recovery efforts for the Palisades and Eaton wildfires.
“At present, no parcel-specific soil testing is required or recommended by the State for residential properties impacted by the Eaton Fire and Palisades Fire,” the letter reads. “In our view, this poses a serious risk to public health and the economic recovery of the communities.”
The letter was signed by faculty members from nine universities, including USC and UCLA, many of whom are currently involved in conducting free soil testing for homeowners in and around the burn zones of the January wildfires. Among them, Andrew Whelton, a Purdue University professor who has investigated contamination following wildfires, said comprehensive soil testing was paramount to the health and safety of the fire-affected communities.
“The decision not to conduct soil testing the way it has been in the past — without any advanced warning — has really thrown personal safety and the ability of the community to rapidly recover up in the air,” Whelton said.
State officials said federal authorities are in charge of the wildfire recovery effort, including the decision on soil testing and remediation. State officials had asked FEMA to reconsider paying for soil testing, but the request was rejected within hours.
“The State continues to push for our federal partners to conduct comprehensive soil sampling as part of the debris removal process,” said Nefretiri Cooley, a spokesperson for CalEPA.
The university researchers highlighted recent soil testing efforts by the Los Angeles Times and the Los Angeles County Department of Public Health that found elevated lead and arsenic levels at destroyed homes cleared by federal debris removal crews in Altadena.
The Army Corps of Engineers, the agency supervising debris removal crews, declined to comment on the county results. A FEMA spokesperson said the agency still maintains that its cleanup approach — removing wildfire debris and up to 6 inches of topsoil — is sufficient to remove immediate public health risks.
The L.A. County Health Department has allocated up to $3 million to pay for soil testing, mostly for homeowners who showered in toxic smoke and ash downwind of the Eaton fire. But Whelton said these efforts on their own are not sufficient to analyze the risk.
“One soil sample will be analyzed that a homeowner submits to a commercial laboratory, and then the homeowner will have to interpret the data on their own and decide what to do,” Whelton said. “So that is not going to get people [back] to safe properties again.”

A worker clears debris from a home destroyed in the Palisades fire in Pacific Palisades in April.
(Genaro Molina / Los Angeles Times)
Local officials continued to emphasize the need for a speedy recovery, in part because they are worried about the precipitous drop in tax revenue. Federal, state, and local governments could experience tax revenue losses from roughly $730 million to $1.4 billion due to the wildfires, according to the Los Angeles County Economic Development Corporation, a nonprofit focused on economic growth.
At a meeting earlier this week, L.A. County officials announced that a new program is expected to allow licensed architects and engineers to “self-certify” that residential rebuilds meet building code requirements, with the assistance of artificial intelligence software that reviews building plans. The initiative aims to significantly speed up the timeline for issuing building permits.
More than 10,000 properties were signed up to be cleaned by federal debris removal crews. So far, they’ve cleared around 4,700 properties, which are now eligible for rebuilding permits without soil testing.
In the past, disaster agencies soil testing at cleaned-up properties to ensure toxic substances did not exceed California’s standards for residential properties. At properties where toxic substances were found above state standards, disaster agencies ordered cleanup crews to return to remove more soil and perform additional testing.
If state officials walk away from their soil-testing policy, some environmental experts say hundreds of homes in Altadena and the Pacific Palisades will still be contaminated, potentially exposing returning residents to toxic metals, like lead. But perhaps more worrying, it could also set a precedent for California communities devastated by wildfires in the future.
In California, where 30% of the state’s population lives in high-risk fire zones where buildings intermingle with wilderness, destructive wildfires are inevitable. But after the Eaton and Palisades fires, many homeowners are confused about federal and state agencies’ responsibilities during disaster cleanup.
“It is certainly appropriate to have discussion about who’s responsible for soil testing and soil remediation after these wildfires,” Whelton said. “But because there was an abrupt decision by multiple government agencies to just not do it, that’s left a whole bunch of property owners with anxiety and an unclear path to how they’re going to make their property safe again — or if they want to return.”
-
Austin, TX7 days ago
Best Austin Salads – 15 Food Places For Good Greens!
-
Technology1 week ago
Netflix is removing Black Mirror: Bandersnatch
-
World1 week ago
The Take: Can India and Pakistan avoid a fourth war over Kashmir?
-
News1 week ago
Jefferson Griffin Concedes Defeat in N.C. Supreme Court Race
-
News1 week ago
Reincarnated by A.I., Arizona Man Forgives His Killer at Sentencing
-
News1 week ago
Who is the new Pope Leo XIV and what are his views?
-
Lifestyle1 week ago
André 3000 Drops Surprise Album After Met Gala Piano Statement
-
News1 week ago
Efforts Grow to Thwart mRNA Therapies as RFK Jr. Pushes Vaccine Wariness